1-(5-fluoro-2-propan-2-ylphenyl)cyclohexan-1-amine

C15H22FN — CID 84797636

IUPAC1-(5-fluoro-2-propan-2-ylphenyl)cyclohexan-1-amine
SMILESCC(C)c1ccc(F)cc1C1(N)CCCCC1
InChIInChI=1S/C15H22FN/c1-11(2)13-7-6-12(16)10-14(13)15(17)8-4-3-5-9-15/h6-7,10-11H,3-5,8-9,17H2,1-2H3
InChIKeyJWIRQQRBYPJIIP-UHFFFAOYSA-N
MW235.35 g/mol
LogP4.07
Rot. Bonds2

About 1-(5-fluoro-2-propan-2-ylphenyl)cyclohexan-1-amine

1-(5-fluoro-2-propan-2-ylphenyl)cyclohexan-1-amine (PubChem CID 84797636) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(5-fluoro-2-propan-2-ylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-propan-2-ylphenyl)cyclohexan-1-amine
PubChem CID84797636
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name1-(5-fluoro-2-propan-2-ylphenyl)cyclohexan-1-amine
SMILESCC(C)c1ccc(F)cc1C1(N)CCCCC1
InChIInChI=1S/C15H22FN/c1-11(2)13-7-6-12(16)10-14(13)15(17)8-4-3-5-9-15/h6-7,10-11H,3-5,8-9,17H2,1-2H3
InChIKeyJWIRQQRBYPJIIP-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2,5-di(propan-2-yl)phenyl]cyclopentan-1-amine
CID 117366356
1-(2,5-difluorophenyl)cyclopentan-1-amine
CID 62802401
1-(2-bromo-5-fluorophenyl)cyclohexan-1-amine
CID 117432906
1-(2,4-difluorophenyl)cyclohexan-1-amine
CID 62802198
2-(1-aminocyclohexyl)-4-fluorobenzaldehyde
CID 117315954
1-(6-propan-2-yl-1,3-benzodioxol-5-yl)cyclohexan-1-amine
CID 117408361
1-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclohexan-1-amine
CID 117418048
1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine
CID 82612097
1-[2-(difluoromethyl)-5-methylphenyl]cyclopentan-1-amine
CID 117323744
1-[2-(difluoromethyl)-5-methoxyphenyl]cyclohexan-1-amine
CID 117391231
1-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclopentan-1-amine
CID 117374393
1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclohexan-1-amine
CID 117444886

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-propan-2-ylphenyl)cyclohexan-1-amine?
The IUPAC name of 1-(5-fluoro-2-propan-2-ylphenyl)cyclohexan-1-amine (CID 84797636) is 1-(5-fluoro-2-propan-2-ylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-propan-2-ylphenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-propan-2-ylphenyl)cyclohexan-1-amine is CC(C)c1ccc(F)cc1C1(N)CCCCC1.
What is the InChIKey of 1-(5-fluoro-2-propan-2-ylphenyl)cyclohexan-1-amine?
The InChIKey is JWIRQQRBYPJIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-11(2)13-7-6-12(16)10-14(13)15(17)8-4-3-5-9-15/h6-7,10-11H,3-5,8-9,17H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-propan-2-ylphenyl)cyclohexan-1-amine?
1-(5-fluoro-2-propan-2-ylphenyl)cyclohexan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-propan-2-ylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 84797636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).