N-[(3-methylphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine

C18H23N — CID 29282807

IUPACN-[(3-methylphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
SMILESCc1cccc(CNCc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C18H23N/c1-14(2)18-9-7-16(8-10-18)12-19-13-17-6-4-5-15(3)11-17/h4-11,14,19H,12-13H2,1-3H3
InChIKeyDUQSNMCXXGURRK-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.41
Rot. Bonds5

About N-[(3-methylphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine

N-[(3-methylphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine (PubChem CID 29282807) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
PubChem CID29282807
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-[(3-methylphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
SMILESCc1cccc(CNCc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C18H23N/c1-14(2)18-9-7-16(8-10-18)12-19-13-17-6-4-5-15(3)11-17/h4-11,14,19H,12-13H2,1-3H3
InChIKeyDUQSNMCXXGURRK-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3-methylphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine 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-(chloromethyl)phenyl]-N-[(3-methylphenyl)methyl]methanamine
CID 107233003
3-[[(4-propan-2-ylphenyl)methylamino]methyl]benzonitrile
CID 60756462
(1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81363211
1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664098
4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline
CID 115212458
1-(4-chlorophenyl)-2-[(3-methylphenyl)methylamino]ethanol
CID 60728914
1-(2-chloro-4-methylphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 106862383
1-(3-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 87038246
1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 4723379
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
2,6-dimethyl-4-[[(3-methylphenyl)methylamino]methyl]phenol
CID 28889201
N-[(3-methylphenyl)methyl]-1-quinoxalin-6-ylmethanamine
CID 46344501

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of N-[(3-methylphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine (CID 29282807) is N-[(3-methylphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for N-[(3-methylphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine is Cc1cccc(CNCc2ccc(C(C)C)cc2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine?
The InChIKey is DUQSNMCXXGURRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-14(2)18-9-7-16(8-10-18)12-19-13-17-6-4-5-15(3)11-17/h4-11,14,19H,12-13H2,1-3H3.
What are the key properties of N-[(3-methylphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine?
N-[(3-methylphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine has a molecular weight of 253.39 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 29282807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).