N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline

C22H32N2O — CID 142915130

IUPACN-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline
SMILESCCN(Cc1ccc(CC(C)(C)N(C)C)cc1)c1cccc(OC)c1
InChIInChI=1S/C22H32N2O/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/h8-15H,7,16-17H2,1-6H3
InChIKeyMVDVONWNCSMIPS-UHFFFAOYSA-N
MW340.51 g/mol
LogP4.60
Rot. Bonds8

About N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline

N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline (PubChem CID 142915130) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline.

Molecular Properties

Compound NameN-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline
PubChem CID142915130
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC NameN-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline
SMILESCCN(Cc1ccc(CC(C)(C)N(C)C)cc1)c1cccc(OC)c1
InChIInChI=1S/C22H32N2O/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/h8-15H,7,16-17H2,1-6H3
InChIKeyMVDVONWNCSMIPS-UHFFFAOYSA-N
XLogP4.60
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-3-methoxyanilino]ethanol
CID 142915207
acetylene;N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol
CID 142915129
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
3-N-ethyl-3-N-[(4-methoxyphenyl)methyl]benzene-1,3-diamine
CID 39358271
N-ethyl-3-methoxy-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline
CID 142915240
N-[[4-[2-(cyclohexylamino)ethyl]phenyl]methyl]-N-ethyl-3-methoxyaniline
CID 142915017
N-hexyl-3-methoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 138518668
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
1,1,1-trifluoro-3-[3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol
CID 24886546
N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282
N-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methoxyaniline
CID 59708993

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline?
The IUPAC name of N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline (CID 142915130) is N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline.
What is the SMILES notation for N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline?
The canonical SMILES for N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline is CCN(Cc1ccc(CC(C)(C)N(C)C)cc1)c1cccc(OC)c1.
What is the InChIKey of N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline?
The InChIKey is MVDVONWNCSMIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O/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/h8-15H,7,16-17H2,1-6H3.
What are the key properties of N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline?
N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline has a molecular weight of 340.51 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline is sourced from PubChem (CID 142915130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).