N-[[1-(3-chlorophenyl)-2-methylcyclopentyl]methyl]ethanamine

C15H22ClN — CID 79679172

IUPACN-[[1-(3-chlorophenyl)-2-methylcyclopentyl]methyl]ethanamine
SMILESCCNCC1(c2cccc(Cl)c2)CCCC1C
InChIInChI=1S/C15H22ClN/c1-3-17-11-15(9-5-6-12(15)2)13-7-4-8-14(16)10-13/h4,7-8,10,12,17H,3,5-6,9,11H2,1-2H3
InChIKeyQDVGHWPBOJKITN-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.01
Rot. Bonds4

About N-[[1-(3-chlorophenyl)-2-methylcyclopentyl]methyl]ethanamine

N-[[1-(3-chlorophenyl)-2-methylcyclopentyl]methyl]ethanamine (PubChem CID 79679172) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is N-[[1-(3-chlorophenyl)-2-methylcyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3-chlorophenyl)-2-methylcyclopentyl]methyl]ethanamine
PubChem CID79679172
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC NameN-[[1-(3-chlorophenyl)-2-methylcyclopentyl]methyl]ethanamine
SMILESCCNCC1(c2cccc(Cl)c2)CCCC1C
InChIInChI=1S/C15H22ClN/c1-3-17-11-15(9-5-6-12(15)2)13-7-4-8-14(16)10-13/h4,7-8,10,12,17H,3,5-6,9,11H2,1-2H3
InChIKeyQDVGHWPBOJKITN-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,2S)-2-(3-chlorophenyl)-2-(methylaminomethyl)cyclohexan-1-ol
CID 58954807
N-[[1-(2,6-dichlorophenyl)-2-methylcyclopentyl]methyl]-2-methylpropan-1-amine
CID 79679814
N-[[1-(3-methoxyphenyl)-2-methylcyclopentyl]methyl]cyclopropanamine
CID 79679358
1-[(1S,2R)-1-(3,4-dichlorophenyl)-2-methylcyclohexyl]-N-methylmethanamine;1-[(1R,2S)-1-(3,4-dichlorophenyl)-2-methylcyclohexyl]-N-methylmethanamine
CID 158997057
N-methyl-1-[2-methyl-1-(3-methylphenyl)cyclobutyl]methanamine
CID 66423749
1-chloro-3-(1,2-diethylcyclobutyl)benzene
CID 90203706
N-[[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopentyl]methyl]propan-1-amine
CID 79679265
N-[[1-(3-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66432799
N-methyl-1-(2-methyl-1-phenylcyclobutyl)methanamine
CID 66431976
2-methoxy-N-[(2-methyl-1-pyridin-3-ylcyclopentyl)methyl]ethanamine
CID 80522892
N-[1-(3-chlorophenyl)cyclopropyl]cyclopentanamine
CID 115901876
N-[[1-[(3-chlorophenyl)methoxy]cyclopentyl]methyl]ethanamine
CID 65124397

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-chlorophenyl)-2-methylcyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[1-(3-chlorophenyl)-2-methylcyclopentyl]methyl]ethanamine (CID 79679172) is N-[[1-(3-chlorophenyl)-2-methylcyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3-chlorophenyl)-2-methylcyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3-chlorophenyl)-2-methylcyclopentyl]methyl]ethanamine is CCNCC1(c2cccc(Cl)c2)CCCC1C.
What is the InChIKey of N-[[1-(3-chlorophenyl)-2-methylcyclopentyl]methyl]ethanamine?
The InChIKey is QDVGHWPBOJKITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-3-17-11-15(9-5-6-12(15)2)13-7-4-8-14(16)10-13/h4,7-8,10,12,17H,3,5-6,9,11H2,1-2H3.
What are the key properties of N-[[1-(3-chlorophenyl)-2-methylcyclopentyl]methyl]ethanamine?
N-[[1-(3-chlorophenyl)-2-methylcyclopentyl]methyl]ethanamine has a molecular weight of 251.80 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chlorophenyl)-2-methylcyclopentyl]methyl]ethanamine is sourced from PubChem (CID 79679172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).