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

C16H24FN — CID 63453712

IUPAC4-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]cyclohexan-1-amine
SMILESCCC1CCC(NCc2ccc(F)c(C)c2)CC1
InChIInChI=1S/C16H24FN/c1-3-13-4-7-15(8-5-13)18-11-14-6-9-16(17)12(2)10-14/h6,9-10,13,15,18H,3-5,7-8,11H2,1-2H3
InChIKeyDXACYETYGKGSKC-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.19
Rot. Bonds4

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

4-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]cyclohexan-1-amine (PubChem CID 63453712) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 4-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]cyclohexan-1-amine
PubChem CID63453712
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name4-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]cyclohexan-1-amine
SMILESCCC1CCC(NCc2ccc(F)c(C)c2)CC1
InChIInChI=1S/C16H24FN/c1-3-13-4-7-15(8-5-13)18-11-14-6-9-16(17)12(2)10-14/h6,9-10,13,15,18H,3-5,7-8,11H2,1-2H3
InChIKeyDXACYETYGKGSKC-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-3-methylphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 66473412
4-ethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 43078853
N-[[4-(2,4-difluoro-5-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 79735800
N-[(4-fluoro-3-methylphenyl)methyl]-3-azaspiro[5.5]undecan-9-amine
CID 56714946
4-[(4-fluoro-3-methylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926309
N-[[3-(2,6-difluoro-3-methylphenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 82803405
N-[(3,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63456354
N-[[4-(4-fluoro-2-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481803
N-[[4-(2-fluorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66480229
N-[[4-(3-fluoro-4-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 115502482
4-ethyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 63454429
4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 782105

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]cyclohexan-1-amine (CID 63453712) is 4-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]cyclohexan-1-amine is CCC1CCC(NCc2ccc(F)c(C)c2)CC1.
What is the InChIKey of 4-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is DXACYETYGKGSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-3-13-4-7-15(8-5-13)18-11-14-6-9-16(17)12(2)10-14/h6,9-10,13,15,18H,3-5,7-8,11H2,1-2H3.
What are the key properties of 4-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]cyclohexan-1-amine?
4-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 63453712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).