1-(4-ethylcyclohexyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine

C17H26FNO — CID 102876292

IUPAC1-(4-ethylcyclohexyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine
SMILESCCC1CCC(CNCc2ccc(OC)cc2F)CC1
InChIInChI=1S/C17H26FNO/c1-3-13-4-6-14(7-5-13)11-19-12-15-8-9-16(20-2)10-17(15)18/h8-10,13-14,19H,3-7,11-12H2,1-2H3
InChIKeyJNWXKGJIRSDACV-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.14
Rot. Bonds6

About 1-(4-ethylcyclohexyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine

1-(4-ethylcyclohexyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine (PubChem CID 102876292) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine
PubChem CID102876292
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name1-(4-ethylcyclohexyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine
SMILESCCC1CCC(CNCc2ccc(OC)cc2F)CC1
InChIInChI=1S/C17H26FNO/c1-3-13-4-6-14(7-5-13)11-19-12-15-8-9-16(20-2)10-17(15)18/h8-10,13-14,19H,3-7,11-12H2,1-2H3
InChIKeyJNWXKGJIRSDACV-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-ethylcyclohexyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine with MolForge

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Related Compounds

2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol
CID 61268390
2-[(cyclopropylmethylamino)methyl]-5-methoxyaniline
CID 115413842
2,2-dicyclopropyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 102876471
1-(1,1-dioxothiolan-2-yl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine
CID 102876520
N-[(2-fluoro-4-methoxyphenyl)methyl]butan-1-amine
CID 68574125
N-[(4-bromo-2-fluorophenyl)methyl]-1-cyclopropylmethanamine
CID 43364189
2-butoxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 102876306
(4-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 81304806
2-cyclopentyloxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 102876414
2-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 102876314
4-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
CID 102879847
3-[(2-fluoro-4-methoxyphenyl)methylamino]-2,2-dimethylpropan-1-ol
CID 102876575

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(4-ethylcyclohexyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine (CID 102876292) is 1-(4-ethylcyclohexyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine is CCC1CCC(CNCc2ccc(OC)cc2F)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine?
The InChIKey is JNWXKGJIRSDACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-3-13-4-6-14(7-5-13)11-19-12-15-8-9-16(20-2)10-17(15)18/h8-10,13-14,19H,3-7,11-12H2,1-2H3.
What are the key properties of 1-(4-ethylcyclohexyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine?
1-(4-ethylcyclohexyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine has a molecular weight of 279.40 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine is sourced from PubChem (CID 102876292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).