N-[(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine

C16H22F3N — CID 63415395

IUPACN-[(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(F)c1F)C1CCC(C)CC1
InChIInChI=1S/C16H22F3N/c1-3-20-16(11-6-4-10(2)5-7-11)12-8-9-13(17)15(19)14(12)18/h8-11,16,20H,3-7H2,1-2H3
InChIKeyCGOBREOOPLESIL-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.58
Rot. Bonds4

About N-[(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine

N-[(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine (PubChem CID 63415395) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
PubChem CID63415395
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC NameN-[(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(F)c1F)C1CCC(C)CC1
InChIInChI=1S/C16H22F3N/c1-3-20-16(11-6-4-10(2)5-7-11)12-8-9-13(17)15(19)14(12)18/h8-11,16,20H,3-7H2,1-2H3
InChIKeyCGOBREOOPLESIL-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[(2,3-difluoro-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 107513270
N-[(2-bromo-3,4-difluorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine
CID 107539192
(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methanamine
CID 62965487
N-[thiolan-2-yl-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 80622741
N-[(2-bromo-3,4-difluorophenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
CID 107539367
N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62791719
N-[(2-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65415800
N-[(2,2-dimethylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 107188716
N-[[2-(difluoromethoxy)phenyl]-(4-methylcyclohexyl)methyl]ethanamine
CID 104988207
N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 82822142
N-ethyl-2-(thian-4-yl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105146575
N-[(4-bromo-2-methoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104988095

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine (CID 63415395) is N-[(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine is CCNC(c1ccc(F)c(F)c1F)C1CCC(C)CC1.
What is the InChIKey of N-[(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine?
The InChIKey is CGOBREOOPLESIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-3-20-16(11-6-4-10(2)5-7-11)12-8-9-13(17)15(19)14(12)18/h8-11,16,20H,3-7H2,1-2H3.
What are the key properties of N-[(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine?
N-[(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine has a molecular weight of 285.35 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine is sourced from PubChem (CID 63415395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).