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

C17H17Cl2N — CID 66481414

IUPACN-[[4-(2,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)ccc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H17Cl2N/c1-11-8-12(10-20-14-4-5-14)2-6-15(11)16-9-13(18)3-7-17(16)19/h2-3,6-9,14,20H,4-5,10H2,1H3
InChIKeyBNPBBWXQCMWUPF-UHFFFAOYSA-N
MW306.24 g/mol
LogP5.22
Rot. Bonds4

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

N-[[4-(2,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine (PubChem CID 66481414) has the molecular formula C17H17Cl2N and a molecular weight of 306.24 g/mol. Its IUPAC name is N-[[4-(2,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine
PubChem CID66481414
Molecular FormulaC17H17Cl2N
Molecular Weight306.24 g/mol
Exact Mass305.07
IUPAC NameN-[[4-(2,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)ccc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H17Cl2N/c1-11-8-12(10-20-14-4-5-14)2-6-15(11)16-9-13(18)3-7-17(16)19/h2-3,6-9,14,20H,4-5,10H2,1H3
InChIKeyBNPBBWXQCMWUPF-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-[[3-(2-chloro-4,5-dimethylphenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 115484355
N-[[4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methyl]cyclopropanamine
CID 81441214
N-[[4-(4-fluoro-2-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481803
N-[[4-(2-fluorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66480229
N-[[4-(2,4-difluoro-5-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 79735800
N-[[3-(2,5-dichlorophenoxy)-4-methylphenyl]methyl]cyclopropanamine
CID 105406574
N-[[3-(2-chloro-4,5-difluorophenyl)-4-methylphenyl]methyl]cyclopropanamine
CID 107476925
N-[[4-(3,4-dimethylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481812
N-[[4-(3-fluoro-4-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 115502482
N-[[4-(3,5-difluorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66479615
N-[[4-(2-chloro-5-methylphenoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 63550539

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine (CID 66481414) is N-[[4-(2,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine is Cc1cc(CNC2CC2)ccc1-c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[[4-(2,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine?
The InChIKey is BNPBBWXQCMWUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N/c1-11-8-12(10-20-14-4-5-14)2-6-15(11)16-9-13(18)3-7-17(16)19/h2-3,6-9,14,20H,4-5,10H2,1H3.
What are the key properties of N-[[4-(2,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine?
N-[[4-(2,5-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-(2,5-dichlorophenyl)-3-methylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 66481414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).