4-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one

C14H18FNO2 — CID 116941932

IUPAC4-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one
SMILESCOc1ccc(F)cc1C(N)C1CCC(=O)CC1
InChIInChI=1S/C14H18FNO2/c1-18-13-7-4-10(15)8-12(13)14(16)9-2-5-11(17)6-3-9/h4,7-9,14H,2-3,5-6,16H2,1H3
InChIKeyOVUGZIXZUWFSQR-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.59
Rot. Bonds3

About 4-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one

4-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one (PubChem CID 116941932) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 4-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one
PubChem CID116941932
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name4-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one
SMILESCOc1ccc(F)cc1C(N)C1CCC(=O)CC1
InChIInChI=1S/C14H18FNO2/c1-18-13-7-4-10(15)8-12(13)14(16)9-2-5-11(17)6-3-9/h4,7-9,14H,2-3,5-6,16H2,1H3
InChIKeyOVUGZIXZUWFSQR-UHFFFAOYSA-N
XLogP2.59
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-cyclohexyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 93023442
4-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclohexan-1-one
CID 116957071
(5-fluoro-2-methoxyphenyl)-(3-methylcyclohexyl)methanamine
CID 82769188
(5-fluoro-2-methoxyphenyl)-(1-methylpyrrolidin-3-yl)methanamine
CID 83824626
(S)-cyclopropyl-(4-fluoro-2-methoxyphenyl)methanamine;hydrochloride
CID 171224902
(5-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine
CID 107177071
(3-ethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 82770138
2-cyclopropyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 83154876
4-[[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]methyl]cyclohexan-1-one
CID 130433786
(4-fluoro-2-methoxyphenyl)-piperidin-4-ylmethanamine
CID 70196823
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one?
The IUPAC name of 4-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one (CID 116941932) is 4-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one.
What is the SMILES notation for 4-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one?
The canonical SMILES for 4-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one is COc1ccc(F)cc1C(N)C1CCC(=O)CC1.
What is the InChIKey of 4-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one?
The InChIKey is OVUGZIXZUWFSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-18-13-7-4-10(15)8-12(13)14(16)9-2-5-11(17)6-3-9/h4,7-9,14H,2-3,5-6,16H2,1H3.
What are the key properties of 4-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one?
4-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one has a molecular weight of 251.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one is sourced from PubChem (CID 116941932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).