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

C16H21Cl2N — CID 81033598

IUPACN-[[2-[(2,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
SMILESClc1ccc(CC2CCCC2CNC2CC2)c(Cl)c1
InChIInChI=1S/C16H21Cl2N/c17-14-5-4-12(16(18)9-14)8-11-2-1-3-13(11)10-19-15-6-7-15/h4-5,9,11,13,15,19H,1-3,6-8,10H2
InChIKeyBPDKYCBWNDLYKA-UHFFFAOYSA-N
MW298.26 g/mol
LogP4.70
Rot. Bonds5

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

N-[[2-[(2,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine (PubChem CID 81033598) has the molecular formula C16H21Cl2N and a molecular weight of 298.26 g/mol. Its IUPAC name is N-[[2-[(2,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(2,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
PubChem CID81033598
Molecular FormulaC16H21Cl2N
Molecular Weight298.26 g/mol
Exact Mass297.11
IUPAC NameN-[[2-[(2,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
SMILESClc1ccc(CC2CCCC2CNC2CC2)c(Cl)c1
InChIInChI=1S/C16H21Cl2N/c17-14-5-4-12(16(18)9-14)8-11-2-1-3-13(11)10-19-15-6-7-15/h4-5,9,11,13,15,19H,1-3,6-8,10H2
InChIKeyBPDKYCBWNDLYKA-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-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81035101
N-[[2-[(2-chlorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 81023868
N-[[2-[(2,4-dichlorophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 81028134
1-[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 81017170
N-[[2-[(2,4-dichlorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81033102
N-[[2-[(3,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81034512
N-[[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81017504
N-[[2-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 107889373
N-[[2-[(2,5-dimethylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81034224
N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81018063
2-[(2,4-dichlorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 63399956
N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62582065

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(2,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine (CID 81033598) is N-[[2-[(2,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(2,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(2,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine is Clc1ccc(CC2CCCC2CNC2CC2)c(Cl)c1.
What is the InChIKey of N-[[2-[(2,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine?
The InChIKey is BPDKYCBWNDLYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N/c17-14-5-4-12(16(18)9-14)8-11-2-1-3-13(11)10-19-15-6-7-15/h4-5,9,11,13,15,19H,1-3,6-8,10H2.
What are the key properties of N-[[2-[(2,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine?
N-[[2-[(2,4-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-[(2,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine is sourced from PubChem (CID 81033598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).