1-(2-fluorophenyl)-2,3-dimethylcyclohexan-1-amine

C14H20FN — CID 64774969

IUPAC1-(2-fluorophenyl)-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(N)(c2ccccc2F)C1C
InChIInChI=1S/C14H20FN/c1-10-6-5-9-14(16,11(10)2)12-7-3-4-8-13(12)15/h3-4,7-8,10-11H,5-6,9,16H2,1-2H3
InChIKeyBXBBZYDIMKGXSP-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.44
Rot. Bonds1

About 1-(2-fluorophenyl)-2,3-dimethylcyclohexan-1-amine

1-(2-fluorophenyl)-2,3-dimethylcyclohexan-1-amine (PubChem CID 64774969) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2,3-dimethylcyclohexan-1-amine
PubChem CID64774969
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name1-(2-fluorophenyl)-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(N)(c2ccccc2F)C1C
InChIInChI=1S/C14H20FN/c1-10-6-5-9-14(16,11(10)2)12-7-3-4-8-13(12)15/h3-4,7-8,10-11H,5-6,9,16H2,1-2H3
InChIKeyBXBBZYDIMKGXSP-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-4-pyridinyl)-2,3-dimethylcyclohexan-1-amine
CID 104737792
2,3-dimethyl-1-(2-propoxyphenyl)cyclohexan-1-amine
CID 104659071
1-(2,6-difluoro-3-methylphenyl)-2,3-dimethylcyclohexan-1-amine
CID 82820099
1-[(2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 64774562
1-(4-bromothiophen-3-yl)-2,3-dimethylcyclohexan-1-amine
CID 79596154
2-[1-(2-fluorophenyl)-2-methylcyclopentyl]propan-2-amine
CID 141045888
1-(2-methoxyphenyl)-2-methylcyclopentan-1-amine
CID 79680080
1-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,2,3-trimethylcyclohexan-1-amine
CID 64762340
[2-amino-2-(2-fluorophenyl)cyclohexyl]methanol;phenylmethanol
CID 143834699
1-(2-fluoroanilino)-2,3-dimethylcyclohexane-1-carbonitrile
CID 64755143
1-(2,3-difluorophenyl)-3-methylcyclohexan-1-amine
CID 63989623
1-(3-chloro-4-methylphenyl)-2,3-dimethylcyclohexan-1-amine
CID 107559783

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-2,3-dimethylcyclohexan-1-amine (CID 64774969) is 1-(2-fluorophenyl)-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-2,3-dimethylcyclohexan-1-amine is CC1CCCC(N)(c2ccccc2F)C1C.
What is the InChIKey of 1-(2-fluorophenyl)-2,3-dimethylcyclohexan-1-amine?
The InChIKey is BXBBZYDIMKGXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-10-6-5-9-14(16,11(10)2)12-7-3-4-8-13(12)15/h3-4,7-8,10-11H,5-6,9,16H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-2,3-dimethylcyclohexan-1-amine?
1-(2-fluorophenyl)-2,3-dimethylcyclohexan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64774969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).