1-cyclohexyl-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine

C17H26FNO — CID 104791765

IUPAC1-cyclohexyl-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
SMILESCCC(NCc1cccc(OC)c1F)C1CCCCC1
InChIInChI=1S/C17H26FNO/c1-3-15(13-8-5-4-6-9-13)19-12-14-10-7-11-16(20-2)17(14)18/h7,10-11,13,15,19H,3-6,8-9,12H2,1-2H3
InChIKeyBXTCDIPDDRXCCI-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.28
Rot. Bonds6

About 1-cyclohexyl-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine

1-cyclohexyl-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine (PubChem CID 104791765) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
PubChem CID104791765
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name1-cyclohexyl-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
SMILESCCC(NCc1cccc(OC)c1F)C1CCCCC1
InChIInChI=1S/C17H26FNO/c1-3-15(13-8-5-4-6-9-13)19-12-14-10-7-11-16(20-2)17(14)18/h7,10-11,13,15,19H,3-6,8-9,12H2,1-2H3
InChIKeyBXTCDIPDDRXCCI-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 62407334
[1-cyclooctyl-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105255263
1-cyclohexyl-N-[(2,3-dichlorophenyl)methyl]propan-1-amine
CID 63476982
methyl 2-[(1-cyclohexylpropylamino)methyl]benzoate
CID 62406452
1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 65018291
N-cyclopentyloxy-1-(2-fluoro-3-methoxyphenyl)methanamine
CID 113453577
N-[(2-fluoro-3-methoxyphenyl)methyl]pent-1-yn-3-amine
CID 106229407
1-(4,4-dimethylcyclohexyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 104794042
(1S)-1-cycloheptyl-N-[(2,3-dimethoxyphenyl)methyl]ethanamine
CID 81391569
2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 104791760
2-cyclopentyl-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791607
1-cyclohexyl-3-(2-fluoro-3-methoxyphenyl)-1-methoxypropan-2-amine
CID 116771238

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 1-cyclohexyl-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine (CID 104791765) is 1-cyclohexyl-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 1-cyclohexyl-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 1-cyclohexyl-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine is CCC(NCc1cccc(OC)c1F)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is BXTCDIPDDRXCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-3-15(13-8-5-4-6-9-13)19-12-14-10-7-11-16(20-2)17(14)18/h7,10-11,13,15,19H,3-6,8-9,12H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine?
1-cyclohexyl-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 104791765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).