N-[(4-ethylcyclohexyl)methyl]-1-(3-fluorophenyl)propan-1-amine

C18H28FN — CID 114871425

IUPACN-[(4-ethylcyclohexyl)methyl]-1-(3-fluorophenyl)propan-1-amine
SMILESCCC1CCC(CNC(CC)c2cccc(F)c2)CC1
InChIInChI=1S/C18H28FN/c1-3-14-8-10-15(11-9-14)13-20-18(4-2)16-6-5-7-17(19)12-16/h5-7,12,14-15,18,20H,3-4,8-11,13H2,1-2H3
InChIKeyXSWXULITNALWCH-UHFFFAOYSA-N
MW277.43 g/mol
LogP5.08
Rot. Bonds6

About N-[(4-ethylcyclohexyl)methyl]-1-(3-fluorophenyl)propan-1-amine

N-[(4-ethylcyclohexyl)methyl]-1-(3-fluorophenyl)propan-1-amine (PubChem CID 114871425) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-1-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-1-(3-fluorophenyl)propan-1-amine
PubChem CID114871425
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-1-(3-fluorophenyl)propan-1-amine
SMILESCCC1CCC(CNC(CC)c2cccc(F)c2)CC1
InChIInChI=1S/C18H28FN/c1-3-14-8-10-15(11-9-14)13-20-18(4-2)16-6-5-7-17(19)12-16/h5-7,12,14-15,18,20H,3-4,8-11,13H2,1-2H3
InChIKeyXSWXULITNALWCH-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.43
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-ethylcyclohexyl)methyl]-1-(4-fluorophenyl)propan-1-amine
CID 63451652
N-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine
CID 43190691
N-(2-cyclobutylethyl)-1-(3-fluorophenyl)propan-1-amine
CID 114871847
(1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81369388
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
N-[1-(3-fluorophenyl)propyl]but-2-yn-1-amine
CID 114871834
N-(3-cyclohexyloxypropyl)-1-(3-fluorophenyl)propan-1-amine
CID 114871123
(1S)-1-(3-fluorophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 81364808
1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386409
N-ethoxy-1-(3-fluorophenyl)propan-1-amine
CID 114871757
N-[(4-ethylcyclohexyl)methyl]-1-(3-methylphenyl)ethanamine
CID 55191785
(1S)-1-(3-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81365320

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-1-(3-fluorophenyl)propan-1-amine?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-1-(3-fluorophenyl)propan-1-amine (CID 114871425) is N-[(4-ethylcyclohexyl)methyl]-1-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-1-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-1-(3-fluorophenyl)propan-1-amine is CCC1CCC(CNC(CC)c2cccc(F)c2)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-1-(3-fluorophenyl)propan-1-amine?
The InChIKey is XSWXULITNALWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-3-14-8-10-15(11-9-14)13-20-18(4-2)16-6-5-7-17(19)12-16/h5-7,12,14-15,18,20H,3-4,8-11,13H2,1-2H3.
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-1-(3-fluorophenyl)propan-1-amine?
N-[(4-ethylcyclohexyl)methyl]-1-(3-fluorophenyl)propan-1-amine has a molecular weight of 277.43 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-1-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 114871425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).