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

C17H17Cl2N — CID 114879154

IUPACN-[[4-(3,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)ccc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H17Cl2N/c1-11-6-12(10-20-16-3-4-16)2-5-17(11)13-7-14(18)9-15(19)8-13/h2,5-9,16,20H,3-4,10H2,1H3
InChIKeyMNGYTPVJAAVNBC-UHFFFAOYSA-N
MW306.24 g/mol
LogP5.22
Rot. Bonds4

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

N-[[4-(3,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine (PubChem CID 114879154) has the molecular formula C17H17Cl2N and a molecular weight of 306.24 g/mol. Its IUPAC name is N-[[4-(3,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(3,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine
PubChem CID114879154
Molecular FormulaC17H17Cl2N
Molecular Weight306.24 g/mol
Exact Mass305.07
IUPAC NameN-[[4-(3,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)ccc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H17Cl2N/c1-11-6-12(10-20-16-3-4-16)2-5-17(11)13-7-14(18)9-15(19)8-13/h2,5-9,16,20H,3-4,10H2,1H3
InChIKeyMNGYTPVJAAVNBC-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-difluorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66479615
N-[[4-(3,4-dimethylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481812
N-[[4-(2,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481414
N-[[4-(3-fluoro-4-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 115502482
N-[[4-(4-fluoro-2-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481803
N-[[2-(3,5-dichlorophenyl)-4-methylphenyl]methyl]cyclopropanamine
CID 114879196
N-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-methylphenyl]methyl]cyclopropanamine
CID 66480253
N-[[4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methyl]cyclopropanamine
CID 81441214
N-[[4-(2,4-difluoro-5-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 79735800
N-[[4-(2-fluorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66480229
N-[[3-(2,6-difluoro-3-methylphenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 82803405
N-[[3-(2-chloro-4,5-dimethylphenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 115484355

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(3,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine (CID 114879154) is N-[[4-(3,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(3,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(3,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine is Cc1cc(CNC2CC2)ccc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[[4-(3,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine?
The InChIKey is MNGYTPVJAAVNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N/c1-11-6-12(10-20-16-3-4-16)2-5-17(11)13-7-14(18)9-15(19)8-13/h2,5-9,16,20H,3-4,10H2,1H3.
What are the key properties of N-[[4-(3,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine?
N-[[4-(3,5-dichlorophenyl)-3-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-[[4-(3,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114879154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).