(2-ethylcyclohexyl)-(3,4,5-trifluorophenyl)methanamine

C15H20F3N — CID 63861115

IUPAC(2-ethylcyclohexyl)-(3,4,5-trifluorophenyl)methanamine
SMILESCCC1CCCCC1C(N)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H20F3N/c1-2-9-5-3-4-6-11(9)15(19)10-7-12(16)14(18)13(17)8-10/h7-9,11,15H,2-6,19H2,1H3
InChIKeyDFCGOUOTYNBLAF-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.32
Rot. Bonds3

About (2-ethylcyclohexyl)-(3,4,5-trifluorophenyl)methanamine

(2-ethylcyclohexyl)-(3,4,5-trifluorophenyl)methanamine (PubChem CID 63861115) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is (2-ethylcyclohexyl)-(3,4,5-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(2-ethylcyclohexyl)-(3,4,5-trifluorophenyl)methanamine
PubChem CID63861115
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name(2-ethylcyclohexyl)-(3,4,5-trifluorophenyl)methanamine
SMILESCCC1CCCCC1C(N)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H20F3N/c1-2-9-5-3-4-6-11(9)15(19)10-7-12(16)14(18)13(17)8-10/h7-9,11,15H,2-6,19H2,1H3
InChIKeyDFCGOUOTYNBLAF-UHFFFAOYSA-N
XLogP4.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.32
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

(3-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine
CID 63863285
(4-bromophenyl)-(2-ethylcyclohexyl)methanamine
CID 55251169
(2-ethylcyclohexyl)-(5-methyl-3-pyridinyl)methanamine
CID 105151254
(3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanamine
CID 115566736
(2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine
CID 63861305
(2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanamine
CID 79722319
2,3-dihydro-1-benzofuran-5-yl-(2-ethylcyclohexyl)methanamine
CID 115862636
2-(3,5-difluorophenyl)-1-(2-ethylcyclohexyl)ethanamine
CID 63862912
[(3,5-difluorophenyl)-(2-ethylcyclohexyl)methyl]hydrazine
CID 105207871
N-(2-ethylcyclohexyl)-2,3,5,6-tetrafluoroaniline
CID 107643882
cyclopentyl-(2-ethylcyclohexyl)methanamine
CID 63861297
(2-ethylcyclohexyl)-(3-ethyl-1-methylpyrazol-5-yl)methanamine
CID 105151143

Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl)-(3,4,5-trifluorophenyl)methanamine?
The IUPAC name of (2-ethylcyclohexyl)-(3,4,5-trifluorophenyl)methanamine (CID 63861115) is (2-ethylcyclohexyl)-(3,4,5-trifluorophenyl)methanamine.
What is the SMILES notation for (2-ethylcyclohexyl)-(3,4,5-trifluorophenyl)methanamine?
The canonical SMILES for (2-ethylcyclohexyl)-(3,4,5-trifluorophenyl)methanamine is CCC1CCCCC1C(N)c1cc(F)c(F)c(F)c1.
What is the InChIKey of (2-ethylcyclohexyl)-(3,4,5-trifluorophenyl)methanamine?
The InChIKey is DFCGOUOTYNBLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-2-9-5-3-4-6-11(9)15(19)10-7-12(16)14(18)13(17)8-10/h7-9,11,15H,2-6,19H2,1H3.
What are the key properties of (2-ethylcyclohexyl)-(3,4,5-trifluorophenyl)methanamine?
(2-ethylcyclohexyl)-(3,4,5-trifluorophenyl)methanamine has a molecular weight of 271.33 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl)-(3,4,5-trifluorophenyl)methanamine is sourced from PubChem (CID 63861115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).