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

C18H23N — CID 62504004

IUPAC3-(4-methylphenyl)-2-[(2-methylphenyl)methyl]propan-1-amine
SMILESCc1ccc(CC(CN)Cc2ccccc2C)cc1
InChIInChI=1S/C18H23N/c1-14-7-9-16(10-8-14)11-17(13-19)12-18-6-4-3-5-15(18)2/h3-10,17H,11-13,19H2,1-2H3
InChIKeyBNMGGJIJZNGAAW-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.66
Rot. Bonds5

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

3-(4-methylphenyl)-2-[(2-methylphenyl)methyl]propan-1-amine (PubChem CID 62504004) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2-[(2-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-2-[(2-methylphenyl)methyl]propan-1-amine
PubChem CID62504004
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name3-(4-methylphenyl)-2-[(2-methylphenyl)methyl]propan-1-amine
SMILESCc1ccc(CC(CN)Cc2ccccc2C)cc1
InChIInChI=1S/C18H23N/c1-14-7-9-16(10-8-14)11-17(13-19)12-18-6-4-3-5-15(18)2/h3-10,17H,11-13,19H2,1-2H3
InChIKeyBNMGGJIJZNGAAW-UHFFFAOYSA-N
XLogP3.66
TPSA26.02 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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-ethylphenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 63496886
2-benzyl-3-(4-methylphenyl)propan-1-amine
CID 62504695
2-[(2,5-dimethylphenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 63496149
2-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 62530380
2-[(3-chloro-2-fluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 102858628
1-(2-methylphenyl)-3-(4-methylphenyl)propan-2-ol
CID 55137869
2-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 62529007
2-[(2,3-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 107309626
(2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol
CID 42328832
1-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2-methylbenzene
CID 66034591
2-(ethoxymethyl)-3-(2-methylphenyl)propan-1-amine
CID 103984194
2-[(3-chloro-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 102858638

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2-[(2-methylphenyl)methyl]propan-1-amine?
The IUPAC name of 3-(4-methylphenyl)-2-[(2-methylphenyl)methyl]propan-1-amine (CID 62504004) is 3-(4-methylphenyl)-2-[(2-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-(4-methylphenyl)-2-[(2-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for 3-(4-methylphenyl)-2-[(2-methylphenyl)methyl]propan-1-amine is Cc1ccc(CC(CN)Cc2ccccc2C)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2-[(2-methylphenyl)methyl]propan-1-amine?
The InChIKey is BNMGGJIJZNGAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-14-7-9-16(10-8-14)11-17(13-19)12-18-6-4-3-5-15(18)2/h3-10,17H,11-13,19H2,1-2H3.
What are the key properties of 3-(4-methylphenyl)-2-[(2-methylphenyl)methyl]propan-1-amine?
3-(4-methylphenyl)-2-[(2-methylphenyl)methyl]propan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2-[(2-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 62504004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).