3-cyclohexyl-3-(3-fluorophenyl)propan-1-amine

C15H22FN — CID 82083463

IUPAC3-cyclohexyl-3-(3-fluorophenyl)propan-1-amine
SMILESNCCC(c1cccc(F)c1)C1CCCCC1
InChIInChI=1S/C15H22FN/c16-14-8-4-7-13(11-14)15(9-10-17)12-5-2-1-3-6-12/h4,7-8,11-12,15H,1-3,5-6,9-10,17H2
InChIKeySSLREVRKWLCCAT-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.84
Rot. Bonds4

About 3-cyclohexyl-3-(3-fluorophenyl)propan-1-amine

3-cyclohexyl-3-(3-fluorophenyl)propan-1-amine (PubChem CID 82083463) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 3-cyclohexyl-3-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyl-3-(3-fluorophenyl)propan-1-amine
PubChem CID82083463
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name3-cyclohexyl-3-(3-fluorophenyl)propan-1-amine
SMILESNCCC(c1cccc(F)c1)C1CCCCC1
InChIInChI=1S/C15H22FN/c16-14-8-4-7-13(11-14)15(9-10-17)12-5-2-1-3-6-12/h4,7-8,11-12,15H,1-3,5-6,9-10,17H2
InChIKeySSLREVRKWLCCAT-UHFFFAOYSA-N
XLogP3.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chlorophenyl)-3-cyclohexylpropan-1-amine
CID 82087861
(R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199156
N-[2-cyclohexyl-2-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 82932645
2-cyclohexyl-2-(3,5-difluorophenyl)ethanamine
CID 79019412
2-cyclohexyl-2-(3,4-difluorophenyl)ethanamine
CID 82084320
2-cycloheptyl-2-(3,4-difluorophenyl)ethanamine
CID 83973673
(R)-cyclobutyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199154
3-cyclopentyl-3-(4-methylphenyl)propan-1-amine
CID 82079151
2-cyclohexyl-2-(2,4-difluorophenyl)ethanamine
CID 80502991
1-(3-fluorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 107521089
2-(3-fluorophenyl)-2-(oxolan-3-yl)ethanamine
CID 83820646
3-(4-butan-2-ylphenyl)-3-cyclopentylpropan-1-amine
CID 112516776

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-(3-fluorophenyl)propan-1-amine?
The IUPAC name of 3-cyclohexyl-3-(3-fluorophenyl)propan-1-amine (CID 82083463) is 3-cyclohexyl-3-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-cyclohexyl-3-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-cyclohexyl-3-(3-fluorophenyl)propan-1-amine is NCCC(c1cccc(F)c1)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-3-(3-fluorophenyl)propan-1-amine?
The InChIKey is SSLREVRKWLCCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c16-14-8-4-7-13(11-14)15(9-10-17)12-5-2-1-3-6-12/h4,7-8,11-12,15H,1-3,5-6,9-10,17H2.
What are the key properties of 3-cyclohexyl-3-(3-fluorophenyl)propan-1-amine?
3-cyclohexyl-3-(3-fluorophenyl)propan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 82083463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).