N-[(1S)-1-(3-chlorophenyl)ethyl]cyclohex-2-en-1-amine

C14H18ClN — CID 107907455

IUPACN-[(1S)-1-(3-chlorophenyl)ethyl]cyclohex-2-en-1-amine
SMILESC[C@H](NC1C=CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClN/c1-11(12-6-5-7-13(15)10-12)16-14-8-3-2-4-9-14/h3,5-8,10-11,14,16H,2,4,9H2,1H3/t11-,14?/m0/s1
InChIKeyVPSZEWUGFDCWFO-ZSOXZCCMSA-N
MW235.76 g/mol
LogP4.10
Rot. Bonds3

About N-[(1S)-1-(3-chlorophenyl)ethyl]cyclohex-2-en-1-amine

N-[(1S)-1-(3-chlorophenyl)ethyl]cyclohex-2-en-1-amine (PubChem CID 107907455) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is N-[(1S)-1-(3-chlorophenyl)ethyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-chlorophenyl)ethyl]cyclohex-2-en-1-amine
PubChem CID107907455
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC NameN-[(1S)-1-(3-chlorophenyl)ethyl]cyclohex-2-en-1-amine
SMILESC[C@H](NC1C=CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClN/c1-11(12-6-5-7-13(15)10-12)16-14-8-3-2-4-9-14/h3,5-8,10-11,14,16H,2,4,9H2,1H3/t11-,14?/m0/s1
InChIKeyVPSZEWUGFDCWFO-ZSOXZCCMSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-phenylethyl)cyclohex-2-en-1-amine
CID 103846518
3-[(1R)-1-[[(1S)-cyclohex-2-en-1-yl]amino]ethyl]-N-methylbenzenesulfonamide
CID 97102694
N-[1-(3-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 63277317
2-[1-(3-chlorophenyl)ethylamino]cyclopentan-1-ol
CID 60713491
(1S)-N-[(1R)-1-phenylethyl]cyclopent-2-en-1-amine
CID 122395369
N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81366645
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 81366711
trans-(1S,2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexan-1-ol
CID 93419082
trans-(1S,2S)-2-[1-(3-chlorophenyl)ethylamino]cyclohexan-1-ol
CID 104956148
(1S)-1-(3-chlorophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81366631
4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine
CID 62313851
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 81365963

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]cyclohex-2-en-1-amine?
The IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]cyclohex-2-en-1-amine (CID 107907455) is N-[(1S)-1-(3-chlorophenyl)ethyl]cyclohex-2-en-1-amine.
What is the SMILES notation for N-[(1S)-1-(3-chlorophenyl)ethyl]cyclohex-2-en-1-amine?
The canonical SMILES for N-[(1S)-1-(3-chlorophenyl)ethyl]cyclohex-2-en-1-amine is C[C@H](NC1C=CCCC1)c1cccc(Cl)c1.
What is the InChIKey of N-[(1S)-1-(3-chlorophenyl)ethyl]cyclohex-2-en-1-amine?
The InChIKey is VPSZEWUGFDCWFO-ZSOXZCCMSA-N. The full InChI is InChI=1S/C14H18ClN/c1-11(12-6-5-7-13(15)10-12)16-14-8-3-2-4-9-14/h3,5-8,10-11,14,16H,2,4,9H2,1H3/t11-,14?/m0/s1.
What are the key properties of N-[(1S)-1-(3-chlorophenyl)ethyl]cyclohex-2-en-1-amine?
N-[(1S)-1-(3-chlorophenyl)ethyl]cyclohex-2-en-1-amine has a molecular weight of 235.76 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-chlorophenyl)ethyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 107907455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).