(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methanamine

C14H18F3N — CID 62965487

IUPAC(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methanamine
SMILESCC1CCC(C(N)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C14H18F3N/c1-8-2-4-9(5-3-8)14(18)10-6-7-11(15)13(17)12(10)16/h6-9,14H,2-5,18H2,1H3
InChIKeyQENKKHFFUDKBLM-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.93
Rot. Bonds2

About (4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methanamine

(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methanamine (PubChem CID 62965487) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is (4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methanamine
PubChem CID62965487
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methanamine
SMILESCC1CCC(C(N)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C14H18F3N/c1-8-2-4-9(5-3-8)14(18)10-6-7-11(15)13(17)12(10)16/h6-9,14H,2-5,18H2,1H3
InChIKeyQENKKHFFUDKBLM-UHFFFAOYSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.93
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

(2-bromo-3,4-difluorophenyl)-(4-methylcyclohexyl)methanamine
CID 107538638
(R)-cyclopentyl-(2,3,4-trifluorophenyl)methanamine;hydrochloride
CID 171205794
cycloheptyl-(2,3,4-trifluorophenyl)methanamine
CID 65399083
(R)-oxan-4-yl-(2,3,4-trifluorophenyl)methanamine
CID 171248262
(2-methylcyclopropyl)-(2,3,4-trifluorophenyl)methanamine
CID 65422564
N-[(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 63415395
2,3-dihydro-1H-inden-2-yl-(2,3,4-trifluorophenyl)methanamine
CID 65410711
(2-methyloxolan-3-yl)-(2,3,4-trifluorophenyl)methanamine
CID 115855316
[2-cyclopropyl-1-(2,3,4-trifluorophenyl)propyl]hydrazine
CID 105305668
(2-bromo-3,4-difluorophenyl)-cyclobutylmethanamine
CID 103852507
6-[(S)-amino(cyclopentyl)methyl]-2,3-difluorophenol
CID 131317967
(2-bromo-3,4-difluorophenyl)-cyclopentylmethanamine
CID 103852506

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methanamine?
The IUPAC name of (4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methanamine (CID 62965487) is (4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methanamine.
What is the SMILES notation for (4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methanamine?
The canonical SMILES for (4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methanamine is CC1CCC(C(N)c2ccc(F)c(F)c2F)CC1.
What is the InChIKey of (4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methanamine?
The InChIKey is QENKKHFFUDKBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-8-2-4-9(5-3-8)14(18)10-6-7-11(15)13(17)12(10)16/h6-9,14H,2-5,18H2,1H3.
What are the key properties of (4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methanamine?
(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methanamine has a molecular weight of 257.30 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methanamine is sourced from PubChem (CID 62965487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).