3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine

C17H24FNO — CID 64595828

IUPAC3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
SMILESCOc1ccc(CC2(N)CCCC(C3CC3)C2)cc1F
InChIInChI=1S/C17H24FNO/c1-20-16-7-4-12(9-15(16)18)10-17(19)8-2-3-14(11-17)13-5-6-13/h4,7,9,13-14H,2-3,5-6,8,10-11,19H2,1H3
InChIKeyGAIRVPMKBZUJGG-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.67
Rot. Bonds4

About 3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine

3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine (PubChem CID 64595828) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
PubChem CID64595828
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
SMILESCOc1ccc(CC2(N)CCCC(C3CC3)C2)cc1F
InChIInChI=1S/C17H24FNO/c1-20-16-7-4-12(9-15(16)18)10-17(19)8-2-3-14(11-17)13-5-6-13/h4,7,9,13-14H,2-3,5-6,8,10-11,19H2,1H3
InChIKeyGAIRVPMKBZUJGG-UHFFFAOYSA-N
XLogP3.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 65154268
3-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)cyclohexan-1-amine
CID 64595065
4-butyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 65020505
3-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 116538891
3-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 65149488
1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol
CID 79080855
1-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylcyclohexan-1-ol
CID 65154167
3-[(3-fluoro-4-methoxyphenyl)methyl]-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol
CID 171955064
1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclohexan-1-amine
CID 114012587
1-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentane-1-carbonitrile
CID 65377847
1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65398856
N-[[1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62726185

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine (CID 64595828) is 3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine is COc1ccc(CC2(N)CCCC(C3CC3)C2)cc1F.
What is the InChIKey of 3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine?
The InChIKey is GAIRVPMKBZUJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-20-16-7-4-12(9-15(16)18)10-17(19)8-2-3-14(11-17)13-5-6-13/h4,7,9,13-14H,2-3,5-6,8,10-11,19H2,1H3.
What are the key properties of 3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine?
3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine has a molecular weight of 277.38 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64595828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).