N-[(2,4-dimethylphenyl)-phenylmethyl]cyclopropanamine

C18H21N — CID 16773686

IUPACN-[(2,4-dimethylphenyl)-phenylmethyl]cyclopropanamine
SMILESCc1ccc(C(NC2CC2)c2ccccc2)c(C)c1
InChIInChI=1S/C18H21N/c1-13-8-11-17(14(2)12-13)18(19-16-9-10-16)15-6-4-3-5-7-15/h3-8,11-12,16,18-19H,9-10H2,1-2H3
InChIKeyZBZIQZJEMXVWLQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.14
Rot. Bonds4

About N-[(2,4-dimethylphenyl)-phenylmethyl]cyclopropanamine

N-[(2,4-dimethylphenyl)-phenylmethyl]cyclopropanamine (PubChem CID 16773686) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)-phenylmethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)-phenylmethyl]cyclopropanamine
PubChem CID16773686
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC NameN-[(2,4-dimethylphenyl)-phenylmethyl]cyclopropanamine
SMILESCc1ccc(C(NC2CC2)c2ccccc2)c(C)c1
InChIInChI=1S/C18H21N/c1-13-8-11-17(14(2)12-13)18(19-16-9-10-16)15-6-4-3-5-7-15/h3-8,11-12,16,18-19H,9-10H2,1-2H3
InChIKeyZBZIQZJEMXVWLQ-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,5-dimethylphenyl)-phenylmethyl]thiolan-3-amine
CID 103779604
N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]methanesulfonamide
CID 95706524
N-[(3-methylphenyl)-phenylmethyl]cyclohexanamine
CID 146752027
N-benzhydryl-4-methylcyclohexan-1-amine
CID 43079012
N-[(2,4-dimethylphenyl)-phenylmethyl]-2,5-dimethylbenzamide
CID 133200142
2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]butan-1-ol
CID 43101708
(2,4-dimethylphenyl)-phenylmethanol
CID 3807153
2,4-dimethyl-1-[(4-methylphenyl)-phenylmethyl]benzene
CID 22389703
(1S)-N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylethanamine
CID 81350273
3-methoxy-N-[(2-methylphenyl)-phenylmethyl]cyclobutan-1-amine
CID 104584378
4-tert-butyl-N-[1-(2,4-dimethylphenyl)ethyl]cyclohexan-1-amine
CID 63448931
N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 95554601

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)-phenylmethyl]cyclopropanamine?
The IUPAC name of N-[(2,4-dimethylphenyl)-phenylmethyl]cyclopropanamine (CID 16773686) is N-[(2,4-dimethylphenyl)-phenylmethyl]cyclopropanamine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)-phenylmethyl]cyclopropanamine?
The canonical SMILES for N-[(2,4-dimethylphenyl)-phenylmethyl]cyclopropanamine is Cc1ccc(C(NC2CC2)c2ccccc2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)-phenylmethyl]cyclopropanamine?
The InChIKey is ZBZIQZJEMXVWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-13-8-11-17(14(2)12-13)18(19-16-9-10-16)15-6-4-3-5-7-15/h3-8,11-12,16,18-19H,9-10H2,1-2H3.
What are the key properties of N-[(2,4-dimethylphenyl)-phenylmethyl]cyclopropanamine?
N-[(2,4-dimethylphenyl)-phenylmethyl]cyclopropanamine has a molecular weight of 251.37 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)-phenylmethyl]cyclopropanamine is sourced from PubChem (CID 16773686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).