1-[(4-chlorophenyl)methyl]cyclohex-3-en-1-amine

C13H16ClN — CID 70514482

IUPAC1-[(4-chlorophenyl)methyl]cyclohex-3-en-1-amine
SMILESNC1(Cc2ccc(Cl)cc2)CC=CCC1
InChIInChI=1S/C13H16ClN/c14-12-6-4-11(5-7-12)10-13(15)8-2-1-3-9-13/h1-2,4-7H,3,8-10,15H2
InChIKeyZVIFCKSOUFUGSS-UHFFFAOYSA-N
MW221.73 g/mol
LogP3.32
Rot. Bonds2

About 1-[(4-chlorophenyl)methyl]cyclohex-3-en-1-amine

1-[(4-chlorophenyl)methyl]cyclohex-3-en-1-amine (PubChem CID 70514482) has the molecular formula C13H16ClN and a molecular weight of 221.73 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]cyclohex-3-en-1-amine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]cyclohex-3-en-1-amine
PubChem CID70514482
Molecular FormulaC13H16ClN
Molecular Weight221.73 g/mol
Exact Mass221.10
IUPAC Name1-[(4-chlorophenyl)methyl]cyclohex-3-en-1-amine
SMILESNC1(Cc2ccc(Cl)cc2)CC=CCC1
InChIInChI=1S/C13H16ClN/c14-12-6-4-11(5-7-12)10-13(15)8-2-1-3-9-13/h1-2,4-7H,3,8-10,15H2
InChIKeyZVIFCKSOUFUGSS-UHFFFAOYSA-N
XLogP3.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 53.32
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

4-[(4-chlorophenyl)methyl]piperidin-4-amine;hydrochloride
CID 66873031
3-[(4-chlorophenyl)methyl]oxolan-3-amine
CID 65019655
1-[(4-chlorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64516003
3-[(4-chlorophenyl)methyl]piperidin-3-amine
CID 146584031
1-chloro-4-[(1-methylcyclopropyl)methyl]benzene
CID 134855306
1-(2-methoxyethyl)cyclohex-3-en-1-amine
CID 130901501
1-[(4-iodophenyl)methyl]cyclopropan-1-amine
CID 58506888
1-[2-(4-chlorophenyl)-1,1-difluoroethyl]cyclopropan-1-amine
CID 105490341
1-[[1-(bromomethyl)cyclopentyl]methyl]-4-chlorobenzene
CID 66049339
1-(3,3-dimethylbutyl)cyclohex-3-en-1-amine
CID 131097625
1-[(4-bromophenyl)methyl]cyclopentan-1-amine
CID 60798345
2-[4-[(1-aminocyclopropyl)methyl]phenyl]ethanol
CID 117116056

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]cyclohex-3-en-1-amine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]cyclohex-3-en-1-amine (CID 70514482) is 1-[(4-chlorophenyl)methyl]cyclohex-3-en-1-amine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]cyclohex-3-en-1-amine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]cyclohex-3-en-1-amine is NC1(Cc2ccc(Cl)cc2)CC=CCC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]cyclohex-3-en-1-amine?
The InChIKey is ZVIFCKSOUFUGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN/c14-12-6-4-11(5-7-12)10-13(15)8-2-1-3-9-13/h1-2,4-7H,3,8-10,15H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]cyclohex-3-en-1-amine?
1-[(4-chlorophenyl)methyl]cyclohex-3-en-1-amine has a molecular weight of 221.73 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]cyclohex-3-en-1-amine is sourced from PubChem (CID 70514482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).