(1S)-1-(3-chlorophenyl)-N-(cyclopentylmethyl)ethanamine

C14H20ClN — CID 81366631

IUPAC(1S)-1-(3-chlorophenyl)-N-(cyclopentylmethyl)ethanamine
SMILESC[C@H](NCC1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClN/c1-11(13-7-4-8-14(15)9-13)16-10-12-5-2-3-6-12/h4,7-9,11-12,16H,2-3,5-6,10H2,1H3/t11-/m0/s1
InChIKeyPTMBHQNZEIRZIJ-NSHDSACASA-N
MW237.77 g/mol
LogP4.18
Rot. Bonds4

About (1S)-1-(3-chlorophenyl)-N-(cyclopentylmethyl)ethanamine

(1S)-1-(3-chlorophenyl)-N-(cyclopentylmethyl)ethanamine (PubChem CID 81366631) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is (1S)-1-(3-chlorophenyl)-N-(cyclopentylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-chlorophenyl)-N-(cyclopentylmethyl)ethanamine
PubChem CID81366631
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name(1S)-1-(3-chlorophenyl)-N-(cyclopentylmethyl)ethanamine
SMILESC[C@H](NCC1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClN/c1-11(13-7-4-8-14(15)9-13)16-10-12-5-2-3-6-12/h4,7-9,11-12,16H,2-3,5-6,10H2,1H3/t11-/m0/s1
InChIKeyPTMBHQNZEIRZIJ-NSHDSACASA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115625455
(1S)-N-(cyclopentylmethyl)-1-(3-methylphenyl)ethanamine
CID 81364259
(1R)-1-(3-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81372258
(1R)-N-(cycloheptylmethyl)-1-(3-methylphenyl)ethanamine
CID 81363930
(1S)-1-(3-chlorophenyl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine
CID 114223881
(1R)-1-(3-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine
CID 81371851
1-(3-chlorophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 113260530
(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81375787
3-[1-(cyclobutylmethylamino)ethyl]phenol
CID 43298395
(1S)-1-(4-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81352222
3-[1-(cyclohexylmethylamino)ethyl]benzonitrile
CID 43775658
trans-(1S,2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexan-1-ol
CID 93419082

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chlorophenyl)-N-(cyclopentylmethyl)ethanamine?
The IUPAC name of (1S)-1-(3-chlorophenyl)-N-(cyclopentylmethyl)ethanamine (CID 81366631) is (1S)-1-(3-chlorophenyl)-N-(cyclopentylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(3-chlorophenyl)-N-(cyclopentylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(3-chlorophenyl)-N-(cyclopentylmethyl)ethanamine is C[C@H](NCC1CCCC1)c1cccc(Cl)c1.
What is the InChIKey of (1S)-1-(3-chlorophenyl)-N-(cyclopentylmethyl)ethanamine?
The InChIKey is PTMBHQNZEIRZIJ-NSHDSACASA-N. The full InChI is InChI=1S/C14H20ClN/c1-11(13-7-4-8-14(15)9-13)16-10-12-5-2-3-6-12/h4,7-9,11-12,16H,2-3,5-6,10H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-(3-chlorophenyl)-N-(cyclopentylmethyl)ethanamine?
(1S)-1-(3-chlorophenyl)-N-(cyclopentylmethyl)ethanamine has a molecular weight of 237.77 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-chlorophenyl)-N-(cyclopentylmethyl)ethanamine is sourced from PubChem (CID 81366631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).