N-[(2-chlorophenyl)-(1-methylcyclopentyl)methyl]ethanamine

C15H22ClN — CID 115801708

IUPACN-[(2-chlorophenyl)-(1-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1ccccc1Cl)C1(C)CCCC1
InChIInChI=1S/C15H22ClN/c1-3-17-14(15(2)10-6-7-11-15)12-8-4-5-9-13(12)16/h4-5,8-9,14,17H,3,6-7,10-11H2,1-2H3
InChIKeyVCMSXBGEFTZQNH-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.57
Rot. Bonds4

About N-[(2-chlorophenyl)-(1-methylcyclopentyl)methyl]ethanamine

N-[(2-chlorophenyl)-(1-methylcyclopentyl)methyl]ethanamine (PubChem CID 115801708) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-(1-methylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-(1-methylcyclopentyl)methyl]ethanamine
PubChem CID115801708
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC NameN-[(2-chlorophenyl)-(1-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1ccccc1Cl)C1(C)CCCC1
InChIInChI=1S/C15H22ClN/c1-3-17-14(15(2)10-6-7-11-15)12-8-4-5-9-13(12)16/h4-5,8-9,14,17H,3,6-7,10-11H2,1-2H3
InChIKeyVCMSXBGEFTZQNH-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-4,5-difluorophenyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 107476482
N-[[2-(2-methoxyethoxy)phenyl]-(1-methylcyclopentyl)methyl]ethanamine
CID 105035384
N-[(7-chloro-1-benzofuran-2-yl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830655
N-[(2,5-dichloro-4-methoxyphenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106827158
N-[(1-methylcyclopentyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115795037
N-[isoquinolin-5-yl-(1-methylcyclohexyl)methyl]ethanamine
CID 106830050
N-[(2-chlorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine
CID 116763409
N-[(2,3-dichlorophenyl)-(1-ethoxycyclopentyl)methyl]ethanamine
CID 116762307
N-[(1-methylcyclopropyl)-(2-propoxyphenyl)methyl]ethanamine
CID 104660529
N-[(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 105038430
2-(2,3-dichlorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine
CID 107312340
N-[(2,3-dichlorophenyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 63417837

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-(1-methylcyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(2-chlorophenyl)-(1-methylcyclopentyl)methyl]ethanamine (CID 115801708) is N-[(2-chlorophenyl)-(1-methylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chlorophenyl)-(1-methylcyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chlorophenyl)-(1-methylcyclopentyl)methyl]ethanamine is CCNC(c1ccccc1Cl)C1(C)CCCC1.
What is the InChIKey of N-[(2-chlorophenyl)-(1-methylcyclopentyl)methyl]ethanamine?
The InChIKey is VCMSXBGEFTZQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-3-17-14(15(2)10-6-7-11-15)12-8-4-5-9-13(12)16/h4-5,8-9,14,17H,3,6-7,10-11H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)-(1-methylcyclopentyl)methyl]ethanamine?
N-[(2-chlorophenyl)-(1-methylcyclopentyl)methyl]ethanamine has a molecular weight of 251.80 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-(1-methylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 115801708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).