N-[(4-chlorophenyl)-cyclopropylmethyl]-2-cyclopentylethanamine

C17H24ClN — CID 63450392

IUPACN-[(4-chlorophenyl)-cyclopropylmethyl]-2-cyclopentylethanamine
SMILESClc1ccc(C(NCCC2CCCC2)C2CC2)cc1
InChIInChI=1S/C17H24ClN/c18-16-9-7-15(8-10-16)17(14-5-6-14)19-12-11-13-3-1-2-4-13/h7-10,13-14,17,19H,1-6,11-12H2
InChIKeyIXGIOIQDLSYGKO-UHFFFAOYSA-N
MW277.84 g/mol
LogP4.96
Rot. Bonds6

About N-[(4-chlorophenyl)-cyclopropylmethyl]-2-cyclopentylethanamine

N-[(4-chlorophenyl)-cyclopropylmethyl]-2-cyclopentylethanamine (PubChem CID 63450392) has the molecular formula C17H24ClN and a molecular weight of 277.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclopropylmethyl]-2-cyclopentylethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclopropylmethyl]-2-cyclopentylethanamine
PubChem CID63450392
Molecular FormulaC17H24ClN
Molecular Weight277.84 g/mol
Exact Mass277.16
IUPAC NameN-[(4-chlorophenyl)-cyclopropylmethyl]-2-cyclopentylethanamine
SMILESClc1ccc(C(NCCC2CCCC2)C2CC2)cc1
InChIInChI=1S/C17H24ClN/c18-16-9-7-15(8-10-16)17(14-5-6-14)19-12-11-13-3-1-2-4-13/h7-10,13-14,17,19H,1-6,11-12H2
InChIKeyIXGIOIQDLSYGKO-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 63448573
2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]ethanol
CID 97333995
N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 65424593
1-(4-chlorophenyl)-N-(2-cyclopentylethyl)butan-1-amine
CID 63450134
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine
CID 43221853
2-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]cyclohexan-1-ol
CID 64927634
N-[(4-chlorophenyl)-cyclopropylmethyl]-N',N'-diethylethane-1,2-diamine
CID 43761796
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methylhexan-1-amine
CID 115324976
1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]pentan-3-ol
CID 115898611
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(4-fluorophenyl)ethanamine
CID 43758292
1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-ethylcyclohexyl)methyl]methanamine
CID 63451555
1-(4-chlorophenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 65425698

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-2-cyclopentylethanamine?
The IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-2-cyclopentylethanamine (CID 63450392) is N-[(4-chlorophenyl)-cyclopropylmethyl]-2-cyclopentylethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclopropylmethyl]-2-cyclopentylethanamine?
The canonical SMILES for N-[(4-chlorophenyl)-cyclopropylmethyl]-2-cyclopentylethanamine is Clc1ccc(C(NCCC2CCCC2)C2CC2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-cyclopropylmethyl]-2-cyclopentylethanamine?
The InChIKey is IXGIOIQDLSYGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN/c18-16-9-7-15(8-10-16)17(14-5-6-14)19-12-11-13-3-1-2-4-13/h7-10,13-14,17,19H,1-6,11-12H2.
What are the key properties of N-[(4-chlorophenyl)-cyclopropylmethyl]-2-cyclopentylethanamine?
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-cyclopentylethanamine has a molecular weight of 277.84 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclopropylmethyl]-2-cyclopentylethanamine is sourced from PubChem (CID 63450392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).