N-[[4-(3,4-dimethylphenyl)-3-methylphenyl]methyl]cyclopropanamine

C19H23N — CID 66481812

IUPACN-[[4-(3,4-dimethylphenyl)-3-methylphenyl]methyl]cyclopropanamine
SMILESCc1ccc(-c2ccc(CNC3CC3)cc2C)cc1C
InChIInChI=1S/C19H23N/c1-13-4-6-17(11-14(13)2)19-9-5-16(10-15(19)3)12-20-18-7-8-18/h4-6,9-11,18,20H,7-8,12H2,1-3H3
InChIKeyXPHCHPIYQZIEQK-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.53
Rot. Bonds4

About N-[[4-(3,4-dimethylphenyl)-3-methylphenyl]methyl]cyclopropanamine

N-[[4-(3,4-dimethylphenyl)-3-methylphenyl]methyl]cyclopropanamine (PubChem CID 66481812) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[4-(3,4-dimethylphenyl)-3-methylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(3,4-dimethylphenyl)-3-methylphenyl]methyl]cyclopropanamine
PubChem CID66481812
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC NameN-[[4-(3,4-dimethylphenyl)-3-methylphenyl]methyl]cyclopropanamine
SMILESCc1ccc(-c2ccc(CNC3CC3)cc2C)cc1C
InChIInChI=1S/C19H23N/c1-13-4-6-17(11-14(13)2)19-9-5-16(10-15(19)3)12-20-18-7-8-18/h4-6,9-11,18,20H,7-8,12H2,1-3H3
InChIKeyXPHCHPIYQZIEQK-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(3-fluoro-4-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 115502482
N-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-methylphenyl]methyl]cyclopropanamine
CID 66480253
N-[[4-(3,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 114879154
N-[[4-(3,5-difluorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66479615
N-[[4-(4-fluoro-2-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481803
N-[(3,4-dimethylphenyl)methyl]piperidin-4-amine
CID 83706075
N-[[4-(2,4-difluoro-5-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 79735800
N-[[4-(2-fluorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66480229
N-[[4-(2,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481414
N-[(4-methyl-3-propan-2-ylphenyl)methyl]cyclopropanamine
CID 105408787
N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]cyclopropanamine
CID 63424844
1-(3,4-dimethylphenyl)-4-(2,2-dimethylpropyl)-2-methylbenzene
CID 162137474

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4-dimethylphenyl)-3-methylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(3,4-dimethylphenyl)-3-methylphenyl]methyl]cyclopropanamine (CID 66481812) is N-[[4-(3,4-dimethylphenyl)-3-methylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(3,4-dimethylphenyl)-3-methylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(3,4-dimethylphenyl)-3-methylphenyl]methyl]cyclopropanamine is Cc1ccc(-c2ccc(CNC3CC3)cc2C)cc1C.
What is the InChIKey of N-[[4-(3,4-dimethylphenyl)-3-methylphenyl]methyl]cyclopropanamine?
The InChIKey is XPHCHPIYQZIEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-13-4-6-17(11-14(13)2)19-9-5-16(10-15(19)3)12-20-18-7-8-18/h4-6,9-11,18,20H,7-8,12H2,1-3H3.
What are the key properties of N-[[4-(3,4-dimethylphenyl)-3-methylphenyl]methyl]cyclopropanamine?
N-[[4-(3,4-dimethylphenyl)-3-methylphenyl]methyl]cyclopropanamine has a molecular weight of 265.40 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4-dimethylphenyl)-3-methylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 66481812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).