(1S)-N-[(4-fluorophenyl)methyl]cyclohex-2-en-1-amine

C13H16FN — CID 122395364

IUPAC(1S)-N-[(4-fluorophenyl)methyl]cyclohex-2-en-1-amine
SMILESFc1ccc(CN[C@@H]2C=CCCC2)cc1
InChIInChI=1S/C13H16FN/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h2,4,6-9,13,15H,1,3,5,10H2/t13-/m1/s1
InChIKeyVXRXNBIRQIKVAI-CYBMUJFWSA-N
MW205.28 g/mol
LogP3.02
Rot. Bonds3

About (1S)-N-[(4-fluorophenyl)methyl]cyclohex-2-en-1-amine

(1S)-N-[(4-fluorophenyl)methyl]cyclohex-2-en-1-amine (PubChem CID 122395364) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is (1S)-N-[(4-fluorophenyl)methyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound Name(1S)-N-[(4-fluorophenyl)methyl]cyclohex-2-en-1-amine
PubChem CID122395364
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name(1S)-N-[(4-fluorophenyl)methyl]cyclohex-2-en-1-amine
SMILESFc1ccc(CN[C@@H]2C=CCCC2)cc1
InChIInChI=1S/C13H16FN/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h2,4,6-9,13,15H,1,3,5,10H2/t13-/m1/s1
InChIKeyVXRXNBIRQIKVAI-CYBMUJFWSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S)-N-[(4-fluorophenyl)methyl]cyclohex-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(cyclohex-2-en-1-ylamino)methyl]phenyl]methanol
CID 107908377
4-[(cyclohex-2-en-1-ylamino)methyl]phenol
CID 103953716
N-[(5-fluoro-2-methylphenyl)methyl]cyclohex-2-en-1-amine
CID 115968267
trans-(1R,2R)-1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine
CID 18660068
ethane;(1R)-N-[[4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]phenyl]methyl]cyclohex-2-ene-1-carboxamide
CID 156824726
N-[(4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65081377
N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 22386980
N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclohex-2-en-1-amine
CID 115693401
N-[(2-methoxy-4-pyridinyl)methyl]cyclohex-2-en-1-amine
CID 107906947
N-[(4-cyclohex-2-en-1-ylsulfanylphenyl)methyl]cyclopropanamine
CID 114620848
(1R,2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 11920641
4-chloro-2-[(cyclohex-2-en-1-ylamino)methyl]phenol
CID 115693366

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4-fluorophenyl)methyl]cyclohex-2-en-1-amine?
The IUPAC name of (1S)-N-[(4-fluorophenyl)methyl]cyclohex-2-en-1-amine (CID 122395364) is (1S)-N-[(4-fluorophenyl)methyl]cyclohex-2-en-1-amine.
What is the SMILES notation for (1S)-N-[(4-fluorophenyl)methyl]cyclohex-2-en-1-amine?
The canonical SMILES for (1S)-N-[(4-fluorophenyl)methyl]cyclohex-2-en-1-amine is Fc1ccc(CN[C@@H]2C=CCCC2)cc1.
What is the InChIKey of (1S)-N-[(4-fluorophenyl)methyl]cyclohex-2-en-1-amine?
The InChIKey is VXRXNBIRQIKVAI-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16FN/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h2,4,6-9,13,15H,1,3,5,10H2/t13-/m1/s1.
What are the key properties of (1S)-N-[(4-fluorophenyl)methyl]cyclohex-2-en-1-amine?
(1S)-N-[(4-fluorophenyl)methyl]cyclohex-2-en-1-amine has a molecular weight of 205.28 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(4-fluorophenyl)methyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 122395364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).