3-[cyclohexyl(methyl)amino]-1-(4-fluorophenyl)propan-1-ol

C16H24FNO — CID 62643359

IUPAC3-[cyclohexyl(methyl)amino]-1-(4-fluorophenyl)propan-1-ol
SMILESCN(CCC(O)c1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C16H24FNO/c1-18(15-5-3-2-4-6-15)12-11-16(19)13-7-9-14(17)10-8-13/h7-10,15-16,19H,2-6,11-12H2,1H3
InChIKeyDVHWJTDEFICKGF-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.51
Rot. Bonds5

About 3-[cyclohexyl(methyl)amino]-1-(4-fluorophenyl)propan-1-ol

3-[cyclohexyl(methyl)amino]-1-(4-fluorophenyl)propan-1-ol (PubChem CID 62643359) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 3-[cyclohexyl(methyl)amino]-1-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-[cyclohexyl(methyl)amino]-1-(4-fluorophenyl)propan-1-ol
PubChem CID62643359
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name3-[cyclohexyl(methyl)amino]-1-(4-fluorophenyl)propan-1-ol
SMILESCN(CCC(O)c1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C16H24FNO/c1-18(15-5-3-2-4-6-15)12-11-16(19)13-7-9-14(17)10-8-13/h7-10,15-16,19H,2-6,11-12H2,1H3
InChIKeyDVHWJTDEFICKGF-UHFFFAOYSA-N
XLogP3.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclohexyl(methyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol
CID 82073844
3-[cyclohexyl(methyl)amino]-1-(2,3,5,6-tetramethylphenyl)propan-1-ol
CID 110830706
1-(4-fluorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propan-1-ol
CID 55099454
1-(4-bromophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol
CID 62618821
1-(4-butan-2-ylphenyl)-2-[cyclohexyl(methyl)amino]ethanol
CID 82217010
3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol
CID 62613095
1-(3-fluorophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol
CID 62630319
2-[cyclohexyl(methyl)amino]-1-(2,5-difluorophenyl)ethanol
CID 82217055
3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(3-fluorophenyl)propan-1-ol
CID 62630682
1-(3-amino-4-fluorophenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol
CID 82135958
4-[4-[cyclohexyl(methyl)amino]butan-2-yl]aniline
CID 104501405
1-(4-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 62644970

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(methyl)amino]-1-(4-fluorophenyl)propan-1-ol?
The IUPAC name of 3-[cyclohexyl(methyl)amino]-1-(4-fluorophenyl)propan-1-ol (CID 62643359) is 3-[cyclohexyl(methyl)amino]-1-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-[cyclohexyl(methyl)amino]-1-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-[cyclohexyl(methyl)amino]-1-(4-fluorophenyl)propan-1-ol is CN(CCC(O)c1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(methyl)amino]-1-(4-fluorophenyl)propan-1-ol?
The InChIKey is DVHWJTDEFICKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-18(15-5-3-2-4-6-15)12-11-16(19)13-7-9-14(17)10-8-13/h7-10,15-16,19H,2-6,11-12H2,1H3.
What are the key properties of 3-[cyclohexyl(methyl)amino]-1-(4-fluorophenyl)propan-1-ol?
3-[cyclohexyl(methyl)amino]-1-(4-fluorophenyl)propan-1-ol has a molecular weight of 265.37 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(methyl)amino]-1-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 62643359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).