[1-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]cyclohexyl]methanol

C17H26FNO — CID 81418469

IUPAC[1-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]cyclohexyl]methanol
SMILESCc1cc(F)ccc1CCNCC1(CO)CCCCC1
InChIInChI=1S/C17H26FNO/c1-14-11-16(18)6-5-15(14)7-10-19-12-17(13-20)8-3-2-4-9-17/h5-6,11,19-20H,2-4,7-10,12-13H2,1H3
InChIKeyVVZKLMKSQHHVKF-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.21
Rot. Bonds6

About [1-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]cyclohexyl]methanol

[1-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]cyclohexyl]methanol (PubChem CID 81418469) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is [1-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]cyclohexyl]methanol
PubChem CID81418469
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name[1-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]cyclohexyl]methanol
SMILESCc1cc(F)ccc1CCNCC1(CO)CCCCC1
InChIInChI=1S/C17H26FNO/c1-14-11-16(18)6-5-15(14)7-10-19-12-17(13-20)8-3-2-4-9-17/h5-6,11,19-20H,2-4,7-10,12-13H2,1H3
InChIKeyVVZKLMKSQHHVKF-UHFFFAOYSA-N
XLogP3.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-[[(4-fluoro-2-methylphenyl)methylamino]methyl]cyclohexyl]methanol
CID 112697662
[1-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243633
N-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 105374909
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(2,4-difluorophenyl)ethanamine
CID 115245915
[1-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243621
[1-[(2-phenylethylamino)methyl]cyclohexyl]methanol
CID 81411898
[3-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 114349812
[1-[[2-(3,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243618
[1-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol
CID 115246983
N-[[1-[(4-fluoro-2-methylphenyl)methyl]cyclopropyl]methyl]ethanamine
CID 114348910
[1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol
CID 115246948
[1-[[(5-fluoro-2-nitrophenyl)methylamino]methyl]cyclohexyl]methanol
CID 103966376

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]cyclohexyl]methanol (CID 81418469) is [1-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]cyclohexyl]methanol is Cc1cc(F)ccc1CCNCC1(CO)CCCCC1.
What is the InChIKey of [1-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]cyclohexyl]methanol?
The InChIKey is VVZKLMKSQHHVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-14-11-16(18)6-5-15(14)7-10-19-12-17(13-20)8-3-2-4-9-17/h5-6,11,19-20H,2-4,7-10,12-13H2,1H3.
What are the key properties of [1-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]cyclohexyl]methanol?
[1-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]cyclohexyl]methanol has a molecular weight of 279.40 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 81418469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).