N-ethyl-3-methoxy-N-[[4-[2-methyl-1-(methylamino)propan-2-yl]phenyl]methyl]aniline

C21H30N2O — CID 142915296

IUPACN-ethyl-3-methoxy-N-[[4-[2-methyl-1-(methylamino)propan-2-yl]phenyl]methyl]aniline
SMILESCCN(Cc1ccc(C(C)(C)CNC)cc1)c1cccc(OC)c1
InChIInChI=1S/C21H30N2O/c1-6-23(19-8-7-9-20(14-19)24-5)15-17-10-12-18(13-11-17)21(2,3)16-22-4/h7-14,22H,6,15-16H2,1-5H3
InChIKeyUOAODOOAXPAJDU-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.22
Rot. Bonds8

About N-ethyl-3-methoxy-N-[[4-[2-methyl-1-(methylamino)propan-2-yl]phenyl]methyl]aniline

N-ethyl-3-methoxy-N-[[4-[2-methyl-1-(methylamino)propan-2-yl]phenyl]methyl]aniline (PubChem CID 142915296) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is N-ethyl-3-methoxy-N-[[4-[2-methyl-1-(methylamino)propan-2-yl]phenyl]methyl]aniline.

Molecular Properties

Compound NameN-ethyl-3-methoxy-N-[[4-[2-methyl-1-(methylamino)propan-2-yl]phenyl]methyl]aniline
PubChem CID142915296
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC NameN-ethyl-3-methoxy-N-[[4-[2-methyl-1-(methylamino)propan-2-yl]phenyl]methyl]aniline
SMILESCCN(Cc1ccc(C(C)(C)CNC)cc1)c1cccc(OC)c1
InChIInChI=1S/C21H30N2O/c1-6-23(19-8-7-9-20(14-19)24-5)15-17-10-12-18(13-11-17)21(2,3)16-22-4/h7-14,22H,6,15-16H2,1-5H3
InChIKeyUOAODOOAXPAJDU-UHFFFAOYSA-N
XLogP4.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline
CID 142915130
2-[4-[(N-ethyl-3-methoxyanilino)methyl]phenyl]acetaldehyde
CID 155065101
3-[ethyl-[[4-[1-(ethylamino)-2-methylpropan-2-yl]phenyl]methyl]amino]phenol
CID 142915083
N-[[4-[2-(cyclohexylamino)ethyl]phenyl]methyl]-N-ethyl-3-methoxyaniline
CID 142915017
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-ethyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 138519666
1,1,1-trifluoro-3-[3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol
CID 24886546
N-hexyl-3-methoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 138518668
acetylene;N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol
CID 142915129
2-[N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-3-methoxyanilino]ethanol
CID 142915207
N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-N-[[4-[2-methyl-1-(methylamino)propan-2-yl]phenyl]methyl]aniline?
The IUPAC name of N-ethyl-3-methoxy-N-[[4-[2-methyl-1-(methylamino)propan-2-yl]phenyl]methyl]aniline (CID 142915296) is N-ethyl-3-methoxy-N-[[4-[2-methyl-1-(methylamino)propan-2-yl]phenyl]methyl]aniline.
What is the SMILES notation for N-ethyl-3-methoxy-N-[[4-[2-methyl-1-(methylamino)propan-2-yl]phenyl]methyl]aniline?
The canonical SMILES for N-ethyl-3-methoxy-N-[[4-[2-methyl-1-(methylamino)propan-2-yl]phenyl]methyl]aniline is CCN(Cc1ccc(C(C)(C)CNC)cc1)c1cccc(OC)c1.
What is the InChIKey of N-ethyl-3-methoxy-N-[[4-[2-methyl-1-(methylamino)propan-2-yl]phenyl]methyl]aniline?
The InChIKey is UOAODOOAXPAJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-6-23(19-8-7-9-20(14-19)24-5)15-17-10-12-18(13-11-17)21(2,3)16-22-4/h7-14,22H,6,15-16H2,1-5H3.
What are the key properties of N-ethyl-3-methoxy-N-[[4-[2-methyl-1-(methylamino)propan-2-yl]phenyl]methyl]aniline?
N-ethyl-3-methoxy-N-[[4-[2-methyl-1-(methylamino)propan-2-yl]phenyl]methyl]aniline has a molecular weight of 326.48 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-N-[[4-[2-methyl-1-(methylamino)propan-2-yl]phenyl]methyl]aniline is sourced from PubChem (CID 142915296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).