4-[2-[3-(3-amino-1-hydroxypropyl)-5-fluorophenyl]ethyl]cyclohexan-1-ol

C17H26FNO2 — CID 66743912

IUPAC4-[2-[3-(3-amino-1-hydroxypropyl)-5-fluorophenyl]ethyl]cyclohexan-1-ol
SMILESNCCC(O)c1cc(F)cc(CCC2CCC(O)CC2)c1
InChIInChI=1S/C17H26FNO2/c18-15-10-13(9-14(11-15)17(21)7-8-19)2-1-12-3-5-16(20)6-4-12/h9-12,16-17,20-21H,1-8,19H2
InChIKeyJNVJBMNYYHJDQA-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.69
Rot. Bonds6

About 4-[2-[3-(3-amino-1-hydroxypropyl)-5-fluorophenyl]ethyl]cyclohexan-1-ol

4-[2-[3-(3-amino-1-hydroxypropyl)-5-fluorophenyl]ethyl]cyclohexan-1-ol (PubChem CID 66743912) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 4-[2-[3-(3-amino-1-hydroxypropyl)-5-fluorophenyl]ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-[3-(3-amino-1-hydroxypropyl)-5-fluorophenyl]ethyl]cyclohexan-1-ol
PubChem CID66743912
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name4-[2-[3-(3-amino-1-hydroxypropyl)-5-fluorophenyl]ethyl]cyclohexan-1-ol
SMILESNCCC(O)c1cc(F)cc(CCC2CCC(O)CC2)c1
InChIInChI=1S/C17H26FNO2/c18-15-10-13(9-14(11-15)17(21)7-8-19)2-1-12-3-5-16(20)6-4-12/h9-12,16-17,20-21H,1-8,19H2
InChIKeyJNVJBMNYYHJDQA-UHFFFAOYSA-N
XLogP2.69
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[3-(2-cyclopropylethyl)-5-fluorophenyl]ethanamine
CID 142359907
3-amino-1-(3-fluoro-5-methylphenyl)propan-1-ol
CID 84769044
5-(2-cyclopropylethyl)-1,3-difluoro-2-propan-2-ylbenzene
CID 167149931
(2S)-1-amino-4-(3,5-difluorophenyl)butan-2-ol
CID 95438340
4-[2-(3-bromophenyl)ethyl]cyclohexan-1-ol
CID 147053018
3-cyclopropyl-1-(2,6-difluorophenyl)propan-1-ol
CID 79522397
3,3,4,4-tetrafluoro-1-(3-fluoro-5-propylphenyl)butan-1-ol
CID 172708628
(1R)-3-chloro-1-(3,5-difluorophenyl)propan-1-ol
CID 146430638
2-[chloro(difluoro)methyl]-1,3-difluoro-5-[2-[4-(2-fluoroethyl)cyclohexyl]ethyl]benzene
CID 20654060
[4-cyclopropyl-1-(3,5-difluorophenyl)butan-2-yl]hydrazine
CID 105206736
1-(3,5-difluorophenyl)-3-methoxypropan-1-ol
CID 62606172
1-(3-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 114454051

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(3-amino-1-hydroxypropyl)-5-fluorophenyl]ethyl]cyclohexan-1-ol?
The IUPAC name of 4-[2-[3-(3-amino-1-hydroxypropyl)-5-fluorophenyl]ethyl]cyclohexan-1-ol (CID 66743912) is 4-[2-[3-(3-amino-1-hydroxypropyl)-5-fluorophenyl]ethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-[3-(3-amino-1-hydroxypropyl)-5-fluorophenyl]ethyl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-[3-(3-amino-1-hydroxypropyl)-5-fluorophenyl]ethyl]cyclohexan-1-ol is NCCC(O)c1cc(F)cc(CCC2CCC(O)CC2)c1.
What is the InChIKey of 4-[2-[3-(3-amino-1-hydroxypropyl)-5-fluorophenyl]ethyl]cyclohexan-1-ol?
The InChIKey is JNVJBMNYYHJDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c18-15-10-13(9-14(11-15)17(21)7-8-19)2-1-12-3-5-16(20)6-4-12/h9-12,16-17,20-21H,1-8,19H2.
What are the key properties of 4-[2-[3-(3-amino-1-hydroxypropyl)-5-fluorophenyl]ethyl]cyclohexan-1-ol?
4-[2-[3-(3-amino-1-hydroxypropyl)-5-fluorophenyl]ethyl]cyclohexan-1-ol has a molecular weight of 295.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(3-amino-1-hydroxypropyl)-5-fluorophenyl]ethyl]cyclohexan-1-ol is sourced from PubChem (CID 66743912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).