N-[(3,5-dimethylcyclohexyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine

C18H28FN — CID 64730112

IUPACN-[(3,5-dimethylcyclohexyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(C)c1)C1CC(C)CC(C)C1
InChIInChI=1S/C18H28FN/c1-5-20-18(15-6-7-17(19)14(4)11-15)16-9-12(2)8-13(3)10-16/h6-7,11-13,16,18,20H,5,8-10H2,1-4H3
InChIKeyKWRFAHSNKHJBFZ-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.86
Rot. Bonds4

About N-[(3,5-dimethylcyclohexyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine

N-[(3,5-dimethylcyclohexyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine (PubChem CID 64730112) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohexyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohexyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
PubChem CID64730112
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC NameN-[(3,5-dimethylcyclohexyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(C)c1)C1CC(C)CC(C)C1
InChIInChI=1S/C18H28FN/c1-5-20-18(15-6-7-17(19)14(4)11-15)16-9-12(2)8-13(3)10-16/h6-7,11-13,16,18,20H,5,8-10H2,1-4H3
InChIKeyKWRFAHSNKHJBFZ-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chlorophenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine
CID 64730507
N-[(4-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 65331655
N-[(5-chloro-2-methylphenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine
CID 104989036
N-[(3,5-dimethylcyclohexyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755408
N-[(4-bromo-3-chlorophenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine
CID 104988660
N-[(3,5-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine
CID 107503952
N-[(4-fluoro-3-methylphenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80622510
N-[(3,5-dimethylcyclohexyl)-pyridin-4-ylmethyl]ethanamine
CID 64728497
N-[(3-bromo-4-methylphenyl)-(3,5-dimethylcyclohexyl)methyl]propan-1-amine
CID 104989016
N-[(3,5-dimethylcyclohexyl)-(2-methylphenyl)methyl]ethanamine
CID 64731101
N-[(3-fluoro-4-methylphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 107128810
2-[[cyclopropyl-(4-fluoro-3-methylphenyl)methyl]amino]ethanol
CID 115898278

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohexyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dimethylcyclohexyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine (CID 64730112) is N-[(3,5-dimethylcyclohexyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dimethylcyclohexyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dimethylcyclohexyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine is CCNC(c1ccc(F)c(C)c1)C1CC(C)CC(C)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohexyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine?
The InChIKey is KWRFAHSNKHJBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-5-20-18(15-6-7-17(19)14(4)11-15)16-9-12(2)8-13(3)10-16/h6-7,11-13,16,18,20H,5,8-10H2,1-4H3.
What are the key properties of N-[(3,5-dimethylcyclohexyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine?
N-[(3,5-dimethylcyclohexyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine has a molecular weight of 277.43 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohexyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 64730112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).