2-[4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]propan-1-amine

C19H26N2 — CID 105346309

IUPAC2-[4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]propan-1-amine
SMILESCc1cccc(CN(C)Cc2ccc(C(C)CN)cc2)c1
InChIInChI=1S/C19H26N2/c1-15-5-4-6-18(11-15)14-21(3)13-17-7-9-19(10-8-17)16(2)12-20/h4-11,16H,12-14,20H2,1-3H3
InChIKeyKGOOBBNJNPXZSC-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.69
Rot. Bonds6

About 2-[4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]propan-1-amine

2-[4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]propan-1-amine (PubChem CID 105346309) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]propan-1-amine
PubChem CID105346309
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name2-[4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]propan-1-amine
SMILESCc1cccc(CN(C)Cc2ccc(C(C)CN)cc2)c1
InChIInChI=1S/C19H26N2/c1-15-5-4-6-18(11-15)14-21(3)13-17-7-9-19(10-8-17)16(2)12-20/h4-11,16H,12-14,20H2,1-3H3
InChIKeyKGOOBBNJNPXZSC-UHFFFAOYSA-N
XLogP3.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]propan-1-amine 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

N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,3-dimethylaniline
CID 105347351
3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383732
2-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]propan-1-amine
CID 105347050
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-3-fluoro-N-methylaniline
CID 105347442
2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]propan-1-amine
CID 105347161
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-(3-methylphenyl)ethanamine
CID 115213284
N-methyl-N-[(3-methylphenyl)methyl]-1-[4-[(S)-methylsulfinyl]phenyl]methanamine
CID 124610996
3,3,3-trifluoro-2-N-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine
CID 61413979
[4-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 60921319
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N,2-dimethylaniline
CID 105347405
2-(bromomethyl)-N,3-dimethyl-N-[(3-methylphenyl)methyl]butan-1-amine
CID 65011843
[3-fluoro-4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 61414070

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]propan-1-amine?
The IUPAC name of 2-[4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]propan-1-amine (CID 105346309) is 2-[4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]propan-1-amine.
What is the SMILES notation for 2-[4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]propan-1-amine?
The canonical SMILES for 2-[4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]propan-1-amine is Cc1cccc(CN(C)Cc2ccc(C(C)CN)cc2)c1.
What is the InChIKey of 2-[4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]propan-1-amine?
The InChIKey is KGOOBBNJNPXZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-15-5-4-6-18(11-15)14-21(3)13-17-7-9-19(10-8-17)16(2)12-20/h4-11,16H,12-14,20H2,1-3H3.
What are the key properties of 2-[4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]propan-1-amine?
2-[4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]propan-1-amine has a molecular weight of 282.43 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]propan-1-amine is sourced from PubChem (CID 105346309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).