1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]propan-1-amine

C18H23N — CID 43080790

IUPAC1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]propan-1-amine
SMILESCCC(NCc1cccc(C)c1)c1ccc(C)cc1
InChIInChI=1S/C18H23N/c1-4-18(17-10-8-14(2)9-11-17)19-13-16-7-5-6-15(3)12-16/h5-12,18-19H,4,13H2,1-3H3
InChIKeyLLYUGWPSUFHWTH-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.54
Rot. Bonds5

About 1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]propan-1-amine

1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]propan-1-amine (PubChem CID 43080790) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]propan-1-amine
PubChem CID43080790
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]propan-1-amine
SMILESCCC(NCc1cccc(C)c1)c1ccc(C)cc1
InChIInChI=1S/C18H23N/c1-4-18(17-10-8-14(2)9-11-17)19-13-16-7-5-6-15(3)12-16/h5-12,18-19H,4,13H2,1-3H3
InChIKeyLLYUGWPSUFHWTH-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-3-[[[(1R)-1-(4-methylphenyl)propyl]amino]methyl]benzamide
CID 97230696
(1R)-1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-1-amine
CID 28970329
2,6-dimethyl-4-[[1-(4-methylphenyl)propylamino]methyl]phenol
CID 43221263
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
CID 43081616
2-bromo-4-[[1-(4-methylphenyl)propylamino]methyl]phenol
CID 60657857
1-(4-bromophenyl)-N-[2-(3-methylphenyl)ethyl]propan-1-amine
CID 63478154
2-methyl-N-[(3-methylphenyl)methyl]pentan-3-amine
CID 43768749
3-[(3-methylphenyl)methylamino]-3-phenylpropanenitrile
CID 62780389
N"-[(3-methylphenyl)methyl]methanetriamine
CID 144552123
(1R)-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 28622798
N-[(3-methylphenyl)methyl]heptan-3-amine
CID 63946684
1-(4-bromophenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43181981

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]propan-1-amine?
The IUPAC name of 1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]propan-1-amine (CID 43080790) is 1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for 1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for 1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]propan-1-amine is CCC(NCc1cccc(C)c1)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]propan-1-amine?
The InChIKey is LLYUGWPSUFHWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-4-18(17-10-8-14(2)9-11-17)19-13-16-7-5-6-15(3)12-16/h5-12,18-19H,4,13H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]propan-1-amine?
1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]propan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43080790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).