1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol

C16H24FNO — CID 55152835

IUPAC1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol
SMILESCC(Cc1ccc(F)cc1)NCC1(O)CCCCC1
InChIInChI=1S/C16H24FNO/c1-13(11-14-5-7-15(17)8-6-14)18-12-16(19)9-3-2-4-10-16/h5-8,13,18-19H,2-4,9-12H2,1H3
InChIKeyHUQLWZWKDZWMQX-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.04
Rot. Bonds5

About 1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol

1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol (PubChem CID 55152835) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol
PubChem CID55152835
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol
SMILESCC(Cc1ccc(F)cc1)NCC1(O)CCCCC1
InChIInChI=1S/C16H24FNO/c1-13(11-14-5-7-15(17)8-6-14)18-12-16(19)9-3-2-4-10-16/h5-8,13,18-19H,2-4,9-12H2,1H3
InChIKeyHUQLWZWKDZWMQX-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-thiophen-3-ylpropan-2-ylamino)methyl]cyclohexan-1-ol
CID 54952846
1-(4-fluorophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]propan-2-amine
CID 113348787
1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249
2-[1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071022
1-[[1-(4-fluoro-2-hydroxyphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65123420
1-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]cyclopentan-1-ol
CID 65105268
1-[[1-(2,5-difluorophenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65105414
1-[[1-(2-chloro-4-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65123525
1-[(1-hydroxycycloheptyl)methyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
CID 111426773
1-[[1-(4-fluorophenyl)pentylamino]methyl]cyclopentan-1-ol
CID 65105165
1-[[1-(4-propylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122937
3-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 64867195

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol (CID 55152835) is 1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol is CC(Cc1ccc(F)cc1)NCC1(O)CCCCC1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol?
The InChIKey is HUQLWZWKDZWMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-13(11-14-5-7-15(17)8-6-14)18-12-16(19)9-3-2-4-10-16/h5-8,13,18-19H,2-4,9-12H2,1H3.
What are the key properties of 1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol?
1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol has a molecular weight of 265.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 55152835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).