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

C16H24FNO — CID 64741608

IUPAC3-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
SMILESCCC1CCCC(NCc2ccc(OC)c(F)c2)C1
InChIInChI=1S/C16H24FNO/c1-3-12-5-4-6-14(9-12)18-11-13-7-8-16(19-2)15(17)10-13/h7-8,10,12,14,18H,3-6,9,11H2,1-2H3
InChIKeyFLIHYAXKWLZZBC-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.89
Rot. Bonds5

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

3-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine (PubChem CID 64741608) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 3-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
PubChem CID64741608
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name3-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
SMILESCCC1CCCC(NCc2ccc(OC)c(F)c2)C1
InChIInChI=1S/C16H24FNO/c1-3-12-5-4-6-14(9-12)18-11-13-7-8-16(19-2)15(17)10-13/h7-8,10,12,14,18H,3-6,9,11H2,1-2H3
InChIKeyFLIHYAXKWLZZBC-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 64743158
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 64741035
methyl 4-[[(3-ethylcyclohexyl)amino]methyl]-2-fluorobenzoate
CID 106700127
1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,3-diamine
CID 79458725
3-ethylsulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine
CID 103702271
1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine
CID 61169019
(3R)-1-(cyclohexylmethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine
CID 51635194
N-[(4-cyclopropylphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 79983701
3-[(3-fluoro-4-methoxyphenyl)methyl]-N-propylcyclopentan-1-amine
CID 64506176
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993879
N-[(2,6-difluorophenyl)methyl]-3-ethylcyclohexan-1-amine
CID 64742190
2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 60612459

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine (CID 64741608) is 3-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine is CCC1CCCC(NCc2ccc(OC)c(F)c2)C1.
What is the InChIKey of 3-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine?
The InChIKey is FLIHYAXKWLZZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-3-12-5-4-6-14(9-12)18-11-13-7-8-16(19-2)15(17)10-13/h7-8,10,12,14,18H,3-6,9,11H2,1-2H3.
What are the key properties of 3-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine?
3-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64741608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).