N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-N-ethylaniline;5,6,7,8-tetrahydronaphthalen-2-ol

C29H38N2O2 — CID 142915212

IUPACN-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-N-ethylaniline;5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCN(Cc1ccc(OCCN(C)C)cc1)c1ccccc1.Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C19H26N2O.C10H12O/c1-4-21(18-8-6-5-7-9-18)16-17-10-12-19(13-11-17)22-15-14-20(2)3;11-10-6-5-8-3-1-2-4-9(8)7-10/h5-13H,4,14-16H2,1-3H3;5-7,11H,1-4H2
InChIKeyXNZCSIWYKFISOP-UHFFFAOYSA-N
MW446.64 g/mol
LogP5.92
Rot. Bonds8

About N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-N-ethylaniline;5,6,7,8-tetrahydronaphthalen-2-ol

N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-N-ethylaniline;5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 142915212) has the molecular formula C29H38N2O2 and a molecular weight of 446.64 g/mol. Its IUPAC name is N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-N-ethylaniline;5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound NameN-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-N-ethylaniline;5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID142915212
Molecular FormulaC29H38N2O2
Molecular Weight446.64 g/mol
Exact Mass446.29
IUPAC NameN-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-N-ethylaniline;5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCN(Cc1ccc(OCCN(C)C)cc1)c1ccccc1.Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C19H26N2O.C10H12O/c1-4-21(18-8-6-5-7-9-18)16-17-10-12-19(13-11-17)22-15-14-20(2)3;11-10-6-5-8-3-1-2-4-9(8)7-10/h5-13H,4,14-16H2,1-3H3;5-7,11H,1-4H2
InChIKeyXNZCSIWYKFISOP-UHFFFAOYSA-N
XLogP5.92
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.64
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline
CID 142915009
acetylene;N-ethyl-N-[[4-[2-[ethyl(methyl)amino]ethoxy]-3-fluorophenyl]methyl]-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol
CID 142915002
acetylene;N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol
CID 142915129
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
acetylene;3-[2-hydroxyethyl-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]amino]phenol;5,6,7,8-tetrahydronaphthalen-2-ol
CID 142915185
acetylene;2-[4-[(N-ethylanilino)methyl]phenyl]acetic acid;5,6,7,8-tetrahydronaphthalen-2-yl 2,2-dimethylpropanoate
CID 142915373
6-[2-[ethyl-[[4-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 66625589
N-ethyl-3-methoxy-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline
CID 142915240
6-[2-[ethyl-[[4-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 66628124
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-ethylaniline
CID 43253527
N-ethyl-N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol
CID 142915269
(6R)-6-[2-[ethyl-[[4-[2-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]ethoxy]phenyl]methyl]amino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 58023123

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-N-ethylaniline;5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-N-ethylaniline;5,6,7,8-tetrahydronaphthalen-2-ol (CID 142915212) is N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-N-ethylaniline;5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-N-ethylaniline;5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-N-ethylaniline;5,6,7,8-tetrahydronaphthalen-2-ol is CCN(Cc1ccc(OCCN(C)C)cc1)c1ccccc1.Oc1ccc2c(c1)CCCC2.
What is the InChIKey of N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-N-ethylaniline;5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is XNZCSIWYKFISOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O.C10H12O/c1-4-21(18-8-6-5-7-9-18)16-17-10-12-19(13-11-17)22-15-14-20(2)3;11-10-6-5-8-3-1-2-4-9(8)7-10/h5-13H,4,14-16H2,1-3H3;5-7,11H,1-4H2.
What are the key properties of N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-N-ethylaniline;5,6,7,8-tetrahydronaphthalen-2-ol?
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-N-ethylaniline;5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 446.64 g/mol, XLogP of 5.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-N-ethylaniline;5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 142915212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).