acetylene;N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol

C34H46N2O2 — CID 142915129

IUPACacetylene;N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol
SMILESC#C.CCN(Cc1ccc(CC(C)(C)N(C)C)cc1)c1cccc(OC)c1.Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C22H32N2O.C10H12O.C2H2/c1-7-24(20-9-8-10-21(15-20)25-6)17-19-13-11-18(12-14-19)16-22(2,3)23(4)5;11-10-6-5-8-3-1-2-4-9(8)7-10;1-2/h8-15H,7,16-17H2,1-6H3;5-7,11H,1-4H2;1-2H
InChIKeyOQMVWKPRCIXOQR-UHFFFAOYSA-N
MW514.75 g/mol
LogP7.12
Rot. Bonds8

About acetylene;N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol

acetylene;N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 142915129) has the molecular formula C34H46N2O2 and a molecular weight of 514.75 g/mol. Its IUPAC name is acetylene;N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Nameacetylene;N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID142915129
Molecular FormulaC34H46N2O2
Molecular Weight514.75 g/mol
Exact Mass514.36
IUPAC Nameacetylene;N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol
SMILESC#C.CCN(Cc1ccc(CC(C)(C)N(C)C)cc1)c1cccc(OC)c1.Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C22H32N2O.C10H12O.C2H2/c1-7-24(20-9-8-10-21(15-20)25-6)17-19-13-11-18(12-14-19)16-22(2,3)23(4)5;11-10-6-5-8-3-1-2-4-9(8)7-10;1-2/h8-15H,7,16-17H2,1-6H3;5-7,11H,1-4H2;1-2H
InChIKeyOQMVWKPRCIXOQR-UHFFFAOYSA-N
XLogP7.12
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.75
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline
CID 142915130
acetylene;N-ethyl-N-[[4-[2-[ethyl(methyl)amino]ethoxy]-3-fluorophenyl]methyl]-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol
CID 142915002
2-[N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-3-methoxyanilino]ethanol
CID 142915207
N-ethyl-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol
CID 142915269
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-N-ethylaniline;5,6,7,8-tetrahydronaphthalen-2-ol
CID 142915212
N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-yloxyphosphane
CID 154681628
6-[2-[ethyl-[[4-[2-(ethylamino)-2-methylpropyl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 66628194
N-ethyl-3-methoxy-N-[[4-[2-methyl-1-(methylamino)propan-2-yl]phenyl]methyl]aniline
CID 142915296
2-[4-[(N-ethyl-3-methoxyanilino)methyl]phenyl]acetaldehyde
CID 155065101
N-ethyl-N-[[3-fluoro-4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]-3,4-dimethoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol
CID 142915104
3-N-ethyl-3-N-[(4-methoxyphenyl)methyl]benzene-1,3-diamine
CID 39358271
acetylene;2-[4-[(N-ethylanilino)methyl]phenyl]acetic acid;5,6,7,8-tetrahydronaphthalen-2-yl 2,2-dimethylpropanoate
CID 142915373

Frequently Asked Questions

What is the IUPAC name of acetylene;N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of acetylene;N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol (CID 142915129) is acetylene;N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for acetylene;N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for acetylene;N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol is C#C.CCN(Cc1ccc(CC(C)(C)N(C)C)cc1)c1cccc(OC)c1.Oc1ccc2c(c1)CCCC2.
What is the InChIKey of acetylene;N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is OQMVWKPRCIXOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O.C10H12O.C2H2/c1-7-24(20-9-8-10-21(15-20)25-6)17-19-13-11-18(12-14-19)16-22(2,3)23(4)5;11-10-6-5-8-3-1-2-4-9(8)7-10;1-2/h8-15H,7,16-17H2,1-6H3;5-7,11H,1-4H2;1-2H.
What are the key properties of acetylene;N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol?
acetylene;N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 514.75 g/mol, XLogP of 7.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 142915129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).