1-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclohexan-1-amine

C16H24FNO — CID 117418048

IUPAC1-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclohexan-1-amine
SMILESCOc1cc(F)c(C(C)C)cc1C1(N)CCCCC1
InChIInChI=1S/C16H24FNO/c1-11(2)12-9-13(15(19-3)10-14(12)17)16(18)7-5-4-6-8-16/h9-11H,4-8,18H2,1-3H3
InChIKeyRSONJSOKVYENIX-UHFFFAOYSA-N
MW265.37 g/mol
LogP4.08
Rot. Bonds3

About 1-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclohexan-1-amine

1-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclohexan-1-amine (PubChem CID 117418048) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclohexan-1-amine
PubChem CID117418048
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclohexan-1-amine
SMILESCOc1cc(F)c(C(C)C)cc1C1(N)CCCCC1
InChIInChI=1S/C16H24FNO/c1-11(2)12-9-13(15(19-3)10-14(12)17)16(18)7-5-4-6-8-16/h9-11H,4-8,18H2,1-3H3
InChIKeyRSONJSOKVYENIX-UHFFFAOYSA-N
XLogP4.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclohexan-1-amine
CID 117444886
1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]cyclopentan-1-amine
CID 117421996
5-(1-aminocyclopentyl)-4-fluoro-2-methoxyphenol
CID 117323526
1-(2,5-difluoro-4-methoxyphenyl)cyclobutan-1-amine
CID 117303916
1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine
CID 82612097
1-fluoro-5-methoxy-2,4-di(propan-2-yl)benzene
CID 59409851
1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
CID 84789200
1-(5-fluoro-2-propan-2-ylphenyl)cyclohexan-1-amine
CID 84797636
1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclopentan-1-amine
CID 117347443
1-(4-bromo-2-methoxyphenyl)cyclohexan-1-amine
CID 117457081
1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclobutan-1-amine
CID 117347276
1-(2,5-dimethoxy-4-propylphenyl)cyclohexan-1-amine
CID 117444888

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclohexan-1-amine?
The IUPAC name of 1-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclohexan-1-amine (CID 117418048) is 1-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclohexan-1-amine is COc1cc(F)c(C(C)C)cc1C1(N)CCCCC1.
What is the InChIKey of 1-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclohexan-1-amine?
The InChIKey is RSONJSOKVYENIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-11(2)12-9-13(15(19-3)10-14(12)17)16(18)7-5-4-6-8-16/h9-11H,4-8,18H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclohexan-1-amine?
1-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclohexan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 117418048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).