2-[(1R,2S)-2-chlorocyclohexyl]ethanamine

C8H16ClN — CID 97304641

IUPAC2-[(1R,2S)-2-chlorocyclohexyl]ethanamine
SMILESNCC[C@H]1CCCC[C@@H]1Cl
InChIInChI=1S/C8H16ClN/c9-8-4-2-1-3-7(8)5-6-10/h7-8H,1-6,10H2/t7-,8+/m1/s1
InChIKeyNFNYPWPUGNRIQE-SFYZADRCSA-N
MW161.68 g/mol
LogP2.13
Rot. Bonds2

About 2-[(1R,2S)-2-chlorocyclohexyl]ethanamine

2-[(1R,2S)-2-chlorocyclohexyl]ethanamine (PubChem CID 97304641) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is 2-[(1R,2S)-2-chlorocyclohexyl]ethanamine.

Molecular Properties

Compound Name2-[(1R,2S)-2-chlorocyclohexyl]ethanamine
PubChem CID97304641
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC Name2-[(1R,2S)-2-chlorocyclohexyl]ethanamine
SMILESNCC[C@H]1CCCC[C@@H]1Cl
InChIInChI=1S/C8H16ClN/c9-8-4-2-1-3-7(8)5-6-10/h7-8H,1-6,10H2/t7-,8+/m1/s1
InChIKeyNFNYPWPUGNRIQE-SFYZADRCSA-N
XLogP2.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2-Chlorocyclohexyl)methanamine hydrochloride
CID 132398465
2-Chloro-2-cyclohexylethanamine
CID 57190122
(2-Chloro-6-fluorocyclohexyl)methanamine
CID 140478909
(2-Chloro-4-fluorocyclohexyl)methanamine
CID 140478912
2-(2-Chloro-6-fluorocyclohexyl)ethanamine
CID 140479004
Chloro(cyclohexyl)methanamine
CID 17888019
4-chloro-N-(2-cyclohexylethyl)butan-1-amine
CID 20699590
4-(2-Chlorocyclohexyl)pentan-1-amine
CID 22024751
2-(2-Chlorocyclohexyl)ethan-1-amine
CID 53423115
2-(3-Chlorocyclohexyl)ethanamine
CID 53434182
2-(4-Chlorocyclohexyl)ethanamine
CID 53434197
(2-Chlorocyclohexyl)methanamine
CID 55291111

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-chlorocyclohexyl]ethanamine?
The IUPAC name of 2-[(1R,2S)-2-chlorocyclohexyl]ethanamine (CID 97304641) is 2-[(1R,2S)-2-chlorocyclohexyl]ethanamine.
What is the SMILES notation for 2-[(1R,2S)-2-chlorocyclohexyl]ethanamine?
The canonical SMILES for 2-[(1R,2S)-2-chlorocyclohexyl]ethanamine is NCC[C@H]1CCCC[C@@H]1Cl.
What is the InChIKey of 2-[(1R,2S)-2-chlorocyclohexyl]ethanamine?
The InChIKey is NFNYPWPUGNRIQE-SFYZADRCSA-N. The full InChI is InChI=1S/C8H16ClN/c9-8-4-2-1-3-7(8)5-6-10/h7-8H,1-6,10H2/t7-,8+/m1/s1.
What are the key properties of 2-[(1R,2S)-2-chlorocyclohexyl]ethanamine?
2-[(1R,2S)-2-chlorocyclohexyl]ethanamine has a molecular weight of 161.68 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-chlorocyclohexyl]ethanamine is sourced from PubChem (CID 97304641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).