N-[(2,5-dimethylphenyl)methyl]-1-phenylethanamine

C17H21N — CID 60684201

IUPACN-[(2,5-dimethylphenyl)methyl]-1-phenylethanamine
SMILESCc1ccc(C)c(CNC(C)c2ccccc2)c1
InChIInChI=1S/C17H21N/c1-13-9-10-14(2)17(11-13)12-18-15(3)16-7-5-4-6-8-16/h4-11,15,18H,12H2,1-3H3
InChIKeyMMFYTQOIZGPDQS-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.15
Rot. Bonds4

About N-[(2,5-dimethylphenyl)methyl]-1-phenylethanamine

N-[(2,5-dimethylphenyl)methyl]-1-phenylethanamine (PubChem CID 60684201) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-1-phenylethanamine
PubChem CID60684201
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-1-phenylethanamine
SMILESCc1ccc(C)c(CNC(C)c2ccccc2)c1
InChIInChI=1S/C17H21N/c1-13-9-10-14(2)17(11-13)12-18-15(3)16-7-5-4-6-8-16/h4-11,15,18H,12H2,1-3H3
InChIKeyMMFYTQOIZGPDQS-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine
CID 78921805
N-[(2,5-dimethylphenyl)methyl]propan-2-amine
CID 43090140
2-(2,5-dimethylphenyl)-N-(1-phenylethyl)acetamide
CID 43905087
(1R)-N-[(2,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81397936
N-[(2,5-dimethylphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 60664695
N-[(2,5-dimethylphenyl)methyl]-4-phenylbutan-2-amine
CID 60657519
4-[(2,5-dimethylphenyl)methylamino]-4-phenylbutan-1-ol
CID 111449763
N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride
CID 15945718
(2S)-N-[(2,5-dimethylphenyl)methyl]butan-2-amine
CID 93116797
2-[(1-phenylethylamino)methyl]phenol
CID 3669487
4-methyl-2-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 81360761
(1R)-N-[(2,4-dimethylphenyl)methyl]-1-pyridin-4-ylethanamine
CID 28643694

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-1-phenylethanamine?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-1-phenylethanamine (CID 60684201) is N-[(2,5-dimethylphenyl)methyl]-1-phenylethanamine.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-1-phenylethanamine?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-1-phenylethanamine is Cc1ccc(C)c(CNC(C)c2ccccc2)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-1-phenylethanamine?
The InChIKey is MMFYTQOIZGPDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-13-9-10-14(2)17(11-13)12-18-15(3)16-7-5-4-6-8-16/h4-11,15,18H,12H2,1-3H3.
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-1-phenylethanamine?
N-[(2,5-dimethylphenyl)methyl]-1-phenylethanamine has a molecular weight of 239.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-1-phenylethanamine is sourced from PubChem (CID 60684201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).