N-[(4,4-dimethylcyclohexyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine

C18H28FN — CID 65391437

IUPACN-[(4,4-dimethylcyclohexyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1C)C1CCC(C)(C)CC1
InChIInChI=1S/C18H28FN/c1-5-20-17(14-8-10-18(3,4)11-9-14)16-7-6-15(19)12-13(16)2/h6-7,12,14,17,20H,5,8-11H2,1-4H3
InChIKeyQJIDJBNGIIKNNA-UHFFFAOYSA-N
MW277.43 g/mol
LogP5.00
Rot. Bonds4

About N-[(4,4-dimethylcyclohexyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine

N-[(4,4-dimethylcyclohexyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine (PubChem CID 65391437) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[(4,4-dimethylcyclohexyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4,4-dimethylcyclohexyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
PubChem CID65391437
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC NameN-[(4,4-dimethylcyclohexyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1C)C1CCC(C)(C)CC1
InChIInChI=1S/C18H28FN/c1-5-20-17(14-8-10-18(3,4)11-9-14)16-7-6-15(19)12-13(16)2/h6-7,12,14,17,20H,5,8-11H2,1-4H3
InChIKeyQJIDJBNGIIKNNA-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.43
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclohexyl-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 55187562
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347992
1-(4,4-difluorocyclohexyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 105142852
N-[(2-chloro-5-fluorophenyl)-(4,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 105395058
N-[(4-fluoro-2-methylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65415409
N-[(4,4-dimethylcyclohexyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
CID 65392232
N-[(3,4-dichlorophenyl)-(4,4-dimethylcyclohexyl)methyl]ethanamine
CID 65392424
N-[(4-fluoro-2-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 115852535
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 65422994
N-[(2,5-difluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 62907060
2-(2,5-difluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65390250
N-[(3-ethylcyclopentyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 65411816

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-dimethylcyclohexyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4,4-dimethylcyclohexyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine (CID 65391437) is N-[(4,4-dimethylcyclohexyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4,4-dimethylcyclohexyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4,4-dimethylcyclohexyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine is CCNC(c1ccc(F)cc1C)C1CCC(C)(C)CC1.
What is the InChIKey of N-[(4,4-dimethylcyclohexyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine?
The InChIKey is QJIDJBNGIIKNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-5-20-17(14-8-10-18(3,4)11-9-14)16-7-6-15(19)12-13(16)2/h6-7,12,14,17,20H,5,8-11H2,1-4H3.
What are the key properties of N-[(4,4-dimethylcyclohexyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine?
N-[(4,4-dimethylcyclohexyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine has a molecular weight of 277.43 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-dimethylcyclohexyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 65391437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).