1-[3-[3-[(dimethylamino)methyl]phenyl]-4-methoxyphenyl]-N-methylethanamine

C19H26N2O — CID 82540020

IUPAC1-[3-[3-[(dimethylamino)methyl]phenyl]-4-methoxyphenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OC)c(-c2cccc(CN(C)C)c2)c1
InChIInChI=1S/C19H26N2O/c1-14(20-2)16-9-10-19(22-5)18(12-16)17-8-6-7-15(11-17)13-21(3)4/h6-12,14,20H,13H2,1-5H3
InChIKeyILRAKHFIHUGPRH-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.70
Rot. Bonds6

About 1-[3-[3-[(dimethylamino)methyl]phenyl]-4-methoxyphenyl]-N-methylethanamine

1-[3-[3-[(dimethylamino)methyl]phenyl]-4-methoxyphenyl]-N-methylethanamine (PubChem CID 82540020) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-[3-[3-[(dimethylamino)methyl]phenyl]-4-methoxyphenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-[3-[(dimethylamino)methyl]phenyl]-4-methoxyphenyl]-N-methylethanamine
PubChem CID82540020
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1-[3-[3-[(dimethylamino)methyl]phenyl]-4-methoxyphenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OC)c(-c2cccc(CN(C)C)c2)c1
InChIInChI=1S/C19H26N2O/c1-14(20-2)16-9-10-19(22-5)18(12-16)17-8-6-7-15(11-17)13-21(3)4/h6-12,14,20H,13H2,1-5H3
InChIKeyILRAKHFIHUGPRH-UHFFFAOYSA-N
XLogP3.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-[3-[(dimethylamino)methyl]phenyl]-4-methoxyphenyl]-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-methoxy-3-(4-methylphenyl)phenyl]-N-methylethanamine
CID 82540557
3-[3-[(dimethylamino)methyl]phenyl]-4-methoxybenzoic acid
CID 82039455
1-[4-chloro-3-[4-[(dimethylamino)methyl]phenyl]phenyl]-N-methylethanamine
CID 110447799
1-[3-(3,4-dimethoxyphenyl)phenyl]-N-methylethanamine
CID 61026051
1-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-N-methylpropan-2-amine
CID 82540027
N-[[3-(5-chloro-2-methoxyphenyl)phenyl]methyl]propan-2-amine
CID 61033468
1-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-ethylethanamine
CID 61033591
1-[4-fluoro-3-(2-methoxy-5-methylphenyl)phenyl]-N-methylethanamine
CID 82540228
5-[(dimethylamino)methyl]-2-methoxy-N-propan-2-ylaniline
CID 43686566
N-methyl-1-[3-(3-propylphenyl)phenyl]ethanamine
CID 116545342
1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylethanamine
CID 82540185
1-(4-methoxy-3-phenylphenyl)ethanol
CID 117328991

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[(dimethylamino)methyl]phenyl]-4-methoxyphenyl]-N-methylethanamine?
The IUPAC name of 1-[3-[3-[(dimethylamino)methyl]phenyl]-4-methoxyphenyl]-N-methylethanamine (CID 82540020) is 1-[3-[3-[(dimethylamino)methyl]phenyl]-4-methoxyphenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-[3-[(dimethylamino)methyl]phenyl]-4-methoxyphenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-[3-[(dimethylamino)methyl]phenyl]-4-methoxyphenyl]-N-methylethanamine is CNC(C)c1ccc(OC)c(-c2cccc(CN(C)C)c2)c1.
What is the InChIKey of 1-[3-[3-[(dimethylamino)methyl]phenyl]-4-methoxyphenyl]-N-methylethanamine?
The InChIKey is ILRAKHFIHUGPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-14(20-2)16-9-10-19(22-5)18(12-16)17-8-6-7-15(11-17)13-21(3)4/h6-12,14,20H,13H2,1-5H3.
What are the key properties of 1-[3-[3-[(dimethylamino)methyl]phenyl]-4-methoxyphenyl]-N-methylethanamine?
1-[3-[3-[(dimethylamino)methyl]phenyl]-4-methoxyphenyl]-N-methylethanamine has a molecular weight of 298.43 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[(dimethylamino)methyl]phenyl]-4-methoxyphenyl]-N-methylethanamine is sourced from PubChem (CID 82540020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).