(1S)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine

C16H24ClN — CID 81377152

IUPAC(1S)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
SMILESC[C@H](NCC1CCCCCC1)c1ccccc1Cl
InChIInChI=1S/C16H24ClN/c1-13(15-10-6-7-11-16(15)17)18-12-14-8-4-2-3-5-9-14/h6-7,10-11,13-14,18H,2-5,8-9,12H2,1H3/t13-/m0/s1
InChIKeyNDAFHEXUCCJALA-ZDUSSCGKSA-N
MW265.83 g/mol
LogP4.96
Rot. Bonds4

About (1S)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine

(1S)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine (PubChem CID 81377152) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is (1S)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
PubChem CID81377152
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name(1S)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
SMILESC[C@H](NCC1CCCCCC1)c1ccccc1Cl
InChIInChI=1S/C16H24ClN/c1-13(15-10-6-7-11-16(15)17)18-12-14-8-4-2-3-5-9-14/h6-7,10-11,13-14,18H,2-5,8-9,12H2,1H3/t13-/m0/s1
InChIKeyNDAFHEXUCCJALA-ZDUSSCGKSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
CID 81377732
(1R)-1-(2-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81377860
(1S)-1-(2-chlorophenyl)-N-[[(3R)-oxan-3-yl]methyl]ethanamine
CID 93447506
1-(2-chlorophenyl)-N-(2-cyclopentylethyl)ethanamine
CID 55191954
(1R)-1-(2-bromophenyl)-N-(cyclohexylmethyl)ethanamine
CID 81383462
1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 82773811
(1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81378620
1-(2-butan-2-yloxyphenyl)-N-(cyclohexylmethyl)ethanamine
CID 54804387
1-(2-chlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82835073
(1S)-1-(2-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine
CID 81378406
1-(2-chlorophenyl)-N-cyclopentyloxyethanamine
CID 83228544
N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43215868

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine?
The IUPAC name of (1S)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine (CID 81377152) is (1S)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine is C[C@H](NCC1CCCCCC1)c1ccccc1Cl.
What is the InChIKey of (1S)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine?
The InChIKey is NDAFHEXUCCJALA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24ClN/c1-13(15-10-6-7-11-16(15)17)18-12-14-8-4-2-3-5-9-14/h6-7,10-11,13-14,18H,2-5,8-9,12H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine?
(1S)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine has a molecular weight of 265.83 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine is sourced from PubChem (CID 81377152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).