4-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]cyclohexan-1-ol

C16H24FNO — CID 115239906

IUPAC4-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]cyclohexan-1-ol
SMILESCc1cc(CCNCC2CCC(O)CC2)ccc1F
InChIInChI=1S/C16H24FNO/c1-12-10-13(4-7-16(12)17)8-9-18-11-14-2-5-15(19)6-3-14/h4,7,10,14-15,18-19H,2-3,5-6,8-9,11H2,1H3
InChIKeyWYVHCIRAOIOBBJ-UHFFFAOYSA-N
MW265.37 g/mol
LogP2.82
Rot. Bonds5

About 4-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]cyclohexan-1-ol

4-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 115239906) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 4-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID115239906
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name4-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]cyclohexan-1-ol
SMILESCc1cc(CCNCC2CCC(O)CC2)ccc1F
InChIInChI=1S/C16H24FNO/c1-12-10-13(4-7-16(12)17)8-9-18-11-14-2-5-15(19)6-3-14/h4,7,10,14-15,18-19H,2-3,5-6,8-9,11H2,1H3
InChIKeyWYVHCIRAOIOBBJ-UHFFFAOYSA-N
XLogP2.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 52.82
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

4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213421
4-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 106133202
N'-[2-(4-fluoro-3-methylphenyl)ethyl]methanediamine
CID 115226004
[2-(4-fluoro-3-methylphenyl)ethylamino]methanethiol
CID 115228200
3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 115639477
4-fluoro-N-[(4-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 114146256
1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43434536
2-(4-fluoro-3-methylphenyl)-N-(morpholin-3-ylmethyl)ethanamine
CID 115238118
N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine
CID 115210410
N'-[2-(4-fluoro-3-methylphenyl)ethyl]butane-1,4-diamine
CID 115201373
2-(4-fluoro-3-methylphenyl)-N-[(1-methylpiperazin-2-yl)methyl]ethanamine
CID 115238453
N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine
CID 115211164

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]cyclohexan-1-ol (CID 115239906) is 4-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]cyclohexan-1-ol is Cc1cc(CCNCC2CCC(O)CC2)ccc1F.
What is the InChIKey of 4-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is WYVHCIRAOIOBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-12-10-13(4-7-16(12)17)8-9-18-11-14-2-5-15(19)6-3-14/h4,7,10,14-15,18-19H,2-3,5-6,8-9,11H2,1H3.
What are the key properties of 4-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]cyclohexan-1-ol?
4-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 265.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 115239906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).