N-[[5-chloro-2-(4-ethylphenyl)phenyl]methyl]cyclopropanamine

C18H20ClN — CID 66158934

IUPACN-[[5-chloro-2-(4-ethylphenyl)phenyl]methyl]cyclopropanamine
SMILESCCc1ccc(-c2ccc(Cl)cc2CNC2CC2)cc1
InChIInChI=1S/C18H20ClN/c1-2-13-3-5-14(6-4-13)18-10-7-16(19)11-15(18)12-20-17-8-9-17/h3-7,10-11,17,20H,2,8-9,12H2,1H3
InChIKeyVSBOBVXMVQCJOB-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.82
Rot. Bonds5

About N-[[5-chloro-2-(4-ethylphenyl)phenyl]methyl]cyclopropanamine

N-[[5-chloro-2-(4-ethylphenyl)phenyl]methyl]cyclopropanamine (PubChem CID 66158934) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is N-[[5-chloro-2-(4-ethylphenyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(4-ethylphenyl)phenyl]methyl]cyclopropanamine
PubChem CID66158934
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC NameN-[[5-chloro-2-(4-ethylphenyl)phenyl]methyl]cyclopropanamine
SMILESCCc1ccc(-c2ccc(Cl)cc2CNC2CC2)cc1
InChIInChI=1S/C18H20ClN/c1-2-13-3-5-14(6-4-13)18-10-7-16(19)11-15(18)12-20-17-8-9-17/h3-7,10-11,17,20H,2,8-9,12H2,1H3
InChIKeyVSBOBVXMVQCJOB-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-chloro-2-pyrimidin-5-ylphenyl)methyl]cyclopropanamine
CID 66160891
N-[[5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]phenyl]methyl]cyclopropanamine
CID 79723423
N-[[5-chloro-2-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]cyclopropanamine
CID 106879368
N-[[5-chloro-2-(3-nitrophenyl)phenyl]methyl]cyclopropanamine
CID 66160692
N-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 65316024
1-[5-chloro-2-(4-cyclobutylphenyl)phenyl]-N-methylmethanamine
CID 116506610
N-[[2-fluoro-5-(4-propylphenyl)phenyl]methyl]cyclopropanamine
CID 63424721
N-[[5-chloro-2-(3-ethylphenoxy)phenyl]methyl]cyclopropanamine
CID 114855013
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 17055759
N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 65316304
N-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine
CID 66161100
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 17055758

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(4-ethylphenyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-chloro-2-(4-ethylphenyl)phenyl]methyl]cyclopropanamine (CID 66158934) is N-[[5-chloro-2-(4-ethylphenyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-chloro-2-(4-ethylphenyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-chloro-2-(4-ethylphenyl)phenyl]methyl]cyclopropanamine is CCc1ccc(-c2ccc(Cl)cc2CNC2CC2)cc1.
What is the InChIKey of N-[[5-chloro-2-(4-ethylphenyl)phenyl]methyl]cyclopropanamine?
The InChIKey is VSBOBVXMVQCJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c1-2-13-3-5-14(6-4-13)18-10-7-16(19)11-15(18)12-20-17-8-9-17/h3-7,10-11,17,20H,2,8-9,12H2,1H3.
What are the key properties of N-[[5-chloro-2-(4-ethylphenyl)phenyl]methyl]cyclopropanamine?
N-[[5-chloro-2-(4-ethylphenyl)phenyl]methyl]cyclopropanamine has a molecular weight of 285.82 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(4-ethylphenyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 66158934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).