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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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).