N-(cyclohex-3-en-1-ylmethyl)-1-(2-fluorophenyl)propan-2-amine

C16H22FN — CID 113226908

IUPACN-(cyclohex-3-en-1-ylmethyl)-1-(2-fluorophenyl)propan-2-amine
SMILESCC(Cc1ccccc1F)NCC1CC=CCC1
InChIInChI=1S/C16H22FN/c1-13(11-15-9-5-6-10-16(15)17)18-12-14-7-3-2-4-8-14/h2-3,5-6,9-10,13-14,18H,4,7-8,11-12H2,1H3
InChIKeyGUXGWTCNJUXRPT-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.70
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethyl)-1-(2-fluorophenyl)propan-2-amine

N-(cyclohex-3-en-1-ylmethyl)-1-(2-fluorophenyl)propan-2-amine (PubChem CID 113226908) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-1-(2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1-(2-fluorophenyl)propan-2-amine
PubChem CID113226908
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1-(2-fluorophenyl)propan-2-amine
SMILESCC(Cc1ccccc1F)NCC1CC=CCC1
InChIInChI=1S/C16H22FN/c1-13(11-15-9-5-6-10-16(15)17)18-12-14-7-3-2-4-8-14/h2-3,5-6,9-10,13-14,18H,4,7-8,11-12H2,1H3
InChIKeyGUXGWTCNJUXRPT-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.70
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-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine
CID 115607332
N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyphenyl)propan-2-amine
CID 60936319
1-(2-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine
CID 114829632
3-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol
CID 102612821
1-(2-fluorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-2-amine
CID 114830149
N-(cyclohex-3-en-1-ylmethyl)-2-methyl-1-phenylpropan-1-amine
CID 43225625
N-(cyclohex-3-en-1-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43223359
1-(2-chlorophenyl)-N-(cyclopropylmethyl)propan-2-amine
CID 43677533
1-(4-bromo-2-fluorophenyl)-N-(cyclohex-3-en-1-ylmethyl)ethanamine
CID 82964326
1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine
CID 114827813
N-[1-(2-fluorophenyl)propan-2-yl]cycloheptanamine
CID 115592320
(4R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]pentan-1-ol
CID 97051708

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(2-fluorophenyl)propan-2-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(2-fluorophenyl)propan-2-amine (CID 113226908) is N-(cyclohex-3-en-1-ylmethyl)-1-(2-fluorophenyl)propan-2-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1-(2-fluorophenyl)propan-2-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1-(2-fluorophenyl)propan-2-amine is CC(Cc1ccccc1F)NCC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1-(2-fluorophenyl)propan-2-amine?
The InChIKey is GUXGWTCNJUXRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN/c1-13(11-15-9-5-6-10-16(15)17)18-12-14-7-3-2-4-8-14/h2-3,5-6,9-10,13-14,18H,4,7-8,11-12H2,1H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1-(2-fluorophenyl)propan-2-amine?
N-(cyclohex-3-en-1-ylmethyl)-1-(2-fluorophenyl)propan-2-amine has a molecular weight of 247.36 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-1-(2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 113226908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).