1-(3-bromo-2,6-difluorophenyl)-4-(propylamino)cyclohexan-1-ol

C15H20BrF2NO — CID 106943803

IUPAC1-(3-bromo-2,6-difluorophenyl)-4-(propylamino)cyclohexan-1-ol
SMILESCCCNC1CCC(O)(c2c(F)ccc(Br)c2F)CC1
InChIInChI=1S/C15H20BrF2NO/c1-2-9-19-10-5-7-15(20,8-6-10)13-12(17)4-3-11(16)14(13)18/h3-4,10,19-20H,2,5-9H2,1H3
InChIKeyOXFWIFZLADHICF-UHFFFAOYSA-N
MW348.23 g/mol
LogP3.86
Rot. Bonds4

About 1-(3-bromo-2,6-difluorophenyl)-4-(propylamino)cyclohexan-1-ol

1-(3-bromo-2,6-difluorophenyl)-4-(propylamino)cyclohexan-1-ol (PubChem CID 106943803) has the molecular formula C15H20BrF2NO and a molecular weight of 348.23 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-4-(propylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-4-(propylamino)cyclohexan-1-ol
PubChem CID106943803
Molecular FormulaC15H20BrF2NO
Molecular Weight348.23 g/mol
Exact Mass347.07
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-4-(propylamino)cyclohexan-1-ol
SMILESCCCNC1CCC(O)(c2c(F)ccc(Br)c2F)CC1
InChIInChI=1S/C15H20BrF2NO/c1-2-9-19-10-5-7-15(20,8-6-10)13-12(17)4-3-11(16)14(13)18/h3-4,10,19-20H,2,5-9H2,1H3
InChIKeyOXFWIFZLADHICF-UHFFFAOYSA-N
XLogP3.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-2,6-difluorophenyl)-4-propan-2-ylcyclohexan-1-ol
CID 106941217
1-(3-bromo-2-fluoro-6-methylphenyl)cyclopropan-1-ol
CID 84802774
1-(4-bromo-3-chloro-2-fluorophenyl)-4-(ethylamino)cyclohexan-1-ol
CID 106763738
4-(propylamino)-1-(3-propylphenyl)cyclohexan-1-ol
CID 116546270
1-(3-bromo-2,6-difluorophenyl)-4-propylcyclohexan-1-amine
CID 106941547
1-(2,6-difluoro-3-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 82803679
1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(propylamino)cyclohexan-1-ol
CID 104795403
3-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-3-methylcyclopentan-1-amine
CID 106273067
1-(2-methoxy-4,6-dimethylphenyl)-4-(propylamino)cyclohexan-1-ol
CID 106681534
3-(3-bromo-2,6-difluorophenyl)-1-methylpiperidin-3-ol
CID 106941435
1-[(4-chloro-3-fluorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol
CID 107889043
1-(3-bromo-2,6-difluorophenyl)-2,4,4-trimethylcyclohexan-1-ol
CID 106941425

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-4-(propylamino)cyclohexan-1-ol?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-4-(propylamino)cyclohexan-1-ol (CID 106943803) is 1-(3-bromo-2,6-difluorophenyl)-4-(propylamino)cyclohexan-1-ol.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-4-(propylamino)cyclohexan-1-ol?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-4-(propylamino)cyclohexan-1-ol is CCCNC1CCC(O)(c2c(F)ccc(Br)c2F)CC1.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-4-(propylamino)cyclohexan-1-ol?
The InChIKey is OXFWIFZLADHICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF2NO/c1-2-9-19-10-5-7-15(20,8-6-10)13-12(17)4-3-11(16)14(13)18/h3-4,10,19-20H,2,5-9H2,1H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-4-(propylamino)cyclohexan-1-ol?
1-(3-bromo-2,6-difluorophenyl)-4-(propylamino)cyclohexan-1-ol has a molecular weight of 348.23 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-4-(propylamino)cyclohexan-1-ol is sourced from PubChem (CID 106943803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).