[3-methyl-1-[(3,4,5-trifluorophenyl)methylamino]cyclohexyl]methanol

C15H20F3NO — CID 63051065

IUPAC[3-methyl-1-[(3,4,5-trifluorophenyl)methylamino]cyclohexyl]methanol
SMILESCC1CCCC(CO)(NCc2cc(F)c(F)c(F)c2)C1
InChIInChI=1S/C15H20F3NO/c1-10-3-2-4-15(7-10,9-20)19-8-11-5-12(16)14(18)13(17)6-11/h5-6,10,19-20H,2-4,7-9H2,1H3
InChIKeyYZNVYGFNDDXRLG-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.13
Rot. Bonds4

About [3-methyl-1-[(3,4,5-trifluorophenyl)methylamino]cyclohexyl]methanol

[3-methyl-1-[(3,4,5-trifluorophenyl)methylamino]cyclohexyl]methanol (PubChem CID 63051065) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is [3-methyl-1-[(3,4,5-trifluorophenyl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[(3,4,5-trifluorophenyl)methylamino]cyclohexyl]methanol
PubChem CID63051065
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name[3-methyl-1-[(3,4,5-trifluorophenyl)methylamino]cyclohexyl]methanol
SMILESCC1CCCC(CO)(NCc2cc(F)c(F)c(F)c2)C1
InChIInChI=1S/C15H20F3NO/c1-10-3-2-4-15(7-10,9-20)19-8-11-5-12(16)14(18)13(17)6-11/h5-6,10,19-20H,2-4,7-9H2,1H3
InChIKeyYZNVYGFNDDXRLG-UHFFFAOYSA-N
XLogP3.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-[(3,5-dibromo-4-methoxyphenyl)methylamino]-3-methylcyclohexyl]methanol
CID 62552336
[1-[(4-tert-butylphenyl)methylamino]-3-methylcyclohexyl]methanol
CID 63476984
[1-[(2-bromo-4-fluorophenyl)methylamino]-3-methylcyclohexyl]methanol
CID 62553023
[3-methyl-1-(1H-pyrrol-3-ylmethylamino)cyclohexyl]methanol
CID 66410290
[1-[(2,5-dichlorophenyl)methylamino]-3-methylcyclohexyl]methanol
CID 65316349
[3-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol
CID 62699549
4-chloro-2-[[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]methyl]phenol
CID 62552329
[1-(benzylamino)-4-methylcycloheptyl]methanol
CID 65085339
[1-(benzylamino)-3-methylcyclopentyl]methanol
CID 64515748
[3-methyl-1-[(5-nitrothiophen-3-yl)methylamino]cyclohexyl]methanol
CID 62552003
[1-(furan-2-ylmethylamino)-3-methylcyclohexyl]methanol
CID 62553513
[3-methyl-1-[(3-nitrophenyl)methylamino]cyclohexyl]methanol
CID 62553332

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(3,4,5-trifluorophenyl)methylamino]cyclohexyl]methanol?
The IUPAC name of [3-methyl-1-[(3,4,5-trifluorophenyl)methylamino]cyclohexyl]methanol (CID 63051065) is [3-methyl-1-[(3,4,5-trifluorophenyl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [3-methyl-1-[(3,4,5-trifluorophenyl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [3-methyl-1-[(3,4,5-trifluorophenyl)methylamino]cyclohexyl]methanol is CC1CCCC(CO)(NCc2cc(F)c(F)c(F)c2)C1.
What is the InChIKey of [3-methyl-1-[(3,4,5-trifluorophenyl)methylamino]cyclohexyl]methanol?
The InChIKey is YZNVYGFNDDXRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-10-3-2-4-15(7-10,9-20)19-8-11-5-12(16)14(18)13(17)6-11/h5-6,10,19-20H,2-4,7-9H2,1H3.
What are the key properties of [3-methyl-1-[(3,4,5-trifluorophenyl)methylamino]cyclohexyl]methanol?
[3-methyl-1-[(3,4,5-trifluorophenyl)methylamino]cyclohexyl]methanol has a molecular weight of 287.32 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(3,4,5-trifluorophenyl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 63051065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).