N-[[2-(3,5-dichlorophenyl)-4-methylphenyl]methyl]cyclopropanamine

C17H17Cl2N — CID 114879196

IUPACN-[[2-(3,5-dichlorophenyl)-4-methylphenyl]methyl]cyclopropanamine
SMILESCc1ccc(CNC2CC2)c(-c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C17H17Cl2N/c1-11-2-3-12(10-20-16-4-5-16)17(6-11)13-7-14(18)9-15(19)8-13/h2-3,6-9,16,20H,4-5,10H2,1H3
InChIKeyQCJKEBFIBVBZPY-UHFFFAOYSA-N
MW306.24 g/mol
LogP5.22
Rot. Bonds4

About N-[[2-(3,5-dichlorophenyl)-4-methylphenyl]methyl]cyclopropanamine

N-[[2-(3,5-dichlorophenyl)-4-methylphenyl]methyl]cyclopropanamine (PubChem CID 114879196) has the molecular formula C17H17Cl2N and a molecular weight of 306.24 g/mol. Its IUPAC name is N-[[2-(3,5-dichlorophenyl)-4-methylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3,5-dichlorophenyl)-4-methylphenyl]methyl]cyclopropanamine
PubChem CID114879196
Molecular FormulaC17H17Cl2N
Molecular Weight306.24 g/mol
Exact Mass305.07
IUPAC NameN-[[2-(3,5-dichlorophenyl)-4-methylphenyl]methyl]cyclopropanamine
SMILESCc1ccc(CNC2CC2)c(-c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C17H17Cl2N/c1-11-2-3-12(10-20-16-4-5-16)17(6-11)13-7-14(18)9-15(19)8-13/h2-3,6-9,16,20H,4-5,10H2,1H3
InChIKeyQCJKEBFIBVBZPY-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.24
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(3,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 114879154
N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
CID 106862588
N-[[5-chloro-2-(2-methoxy-5-methylphenyl)phenyl]methyl]cyclopropanamine
CID 66161691
N-[(2-ethenyl-4-methylphenyl)methyl]cyclopropanamine
CID 107430275
N-[(2-chloro-4-methylphenyl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 106862708
3-[(cyclopropylamino)methyl]-6-(2,5-dimethylphenyl)-1H-pyridin-2-one
CID 82519976
N-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 114857170
N-[[2-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine
CID 105350078
N-[[3-(2-fluoro-5-methylphenyl)phenyl]methyl]cyclopropanamine
CID 54911691
N-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
CID 79485255
2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]ethanol
CID 63326627
N-[(2-fluoro-5-methylphenyl)methyl]oxan-4-amine
CID 115632214

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-dichlorophenyl)-4-methylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3,5-dichlorophenyl)-4-methylphenyl]methyl]cyclopropanamine (CID 114879196) is N-[[2-(3,5-dichlorophenyl)-4-methylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3,5-dichlorophenyl)-4-methylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3,5-dichlorophenyl)-4-methylphenyl]methyl]cyclopropanamine is Cc1ccc(CNC2CC2)c(-c2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of N-[[2-(3,5-dichlorophenyl)-4-methylphenyl]methyl]cyclopropanamine?
The InChIKey is QCJKEBFIBVBZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N/c1-11-2-3-12(10-20-16-4-5-16)17(6-11)13-7-14(18)9-15(19)8-13/h2-3,6-9,16,20H,4-5,10H2,1H3.
What are the key properties of N-[[2-(3,5-dichlorophenyl)-4-methylphenyl]methyl]cyclopropanamine?
N-[[2-(3,5-dichlorophenyl)-4-methylphenyl]methyl]cyclopropanamine has a molecular weight of 306.24 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-dichlorophenyl)-4-methylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114879196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).