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

C16H21Cl2N — CID 81034512

IUPACN-[[2-[(3,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
SMILESClc1ccc(CC2CCCC2CNC2CC2)cc1Cl
InChIInChI=1S/C16H21Cl2N/c17-15-7-4-11(9-16(15)18)8-12-2-1-3-13(12)10-19-14-5-6-14/h4,7,9,12-14,19H,1-3,5-6,8,10H2
InChIKeyZVCDAOKOEKOPQF-UHFFFAOYSA-N
MW298.26 g/mol
LogP4.70
Rot. Bonds5

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

N-[[2-[(3,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine (PubChem CID 81034512) has the molecular formula C16H21Cl2N and a molecular weight of 298.26 g/mol. Its IUPAC name is N-[[2-[(3,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(3,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
PubChem CID81034512
Molecular FormulaC16H21Cl2N
Molecular Weight298.26 g/mol
Exact Mass297.11
IUPAC NameN-[[2-[(3,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
SMILESClc1ccc(CC2CCCC2CNC2CC2)cc1Cl
InChIInChI=1S/C16H21Cl2N/c17-15-7-4-11(9-16(15)18)8-12-2-1-3-13(12)10-19-14-5-6-14/h4,7,9,12-14,19H,1-3,5-6,8,10H2
InChIKeyZVCDAOKOEKOPQF-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 107889373
N-[[2-[(2,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81033598
1,2-dichloro-4-[(2-chlorocyclohexyl)methyl]benzene
CID 63461674
N-[[2-(thiophen-3-ylmethyl)cyclopentyl]methyl]cyclopropanamine
CID 81026994
N-[[2-[(2-chlorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 81023868
N-[[2-[(4-iodophenyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017966
N-[[2-[(3-chloro-4-fluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 103042330
N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride
CID 17331622
N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 81024776
1-[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 103042334
N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62582239
4-N-[(3,4-dichlorophenyl)methyl]cyclohexane-1,4-diamine
CID 62313670

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(3,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine (CID 81034512) is N-[[2-[(3,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(3,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(3,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine is Clc1ccc(CC2CCCC2CNC2CC2)cc1Cl.
What is the InChIKey of N-[[2-[(3,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine?
The InChIKey is ZVCDAOKOEKOPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N/c17-15-7-4-11(9-16(15)18)8-12-2-1-3-13(12)10-19-14-5-6-14/h4,7,9,12-14,19H,1-3,5-6,8,10H2.
What are the key properties of N-[[2-[(3,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine?
N-[[2-[(3,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine has a molecular weight of 298.26 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine is sourced from PubChem (CID 81034512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).