2-(cycloheptylamino)-2-(2,4-difluorophenyl)propan-1-ol

C16H23F2NO — CID 61056358

IUPAC2-(cycloheptylamino)-2-(2,4-difluorophenyl)propan-1-ol
SMILESCC(CO)(NC1CCCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C16H23F2NO/c1-16(11-20,14-9-8-12(17)10-15(14)18)19-13-6-4-2-3-5-7-13/h8-10,13,19-20H,2-7,11H2,1H3
InChIKeyHWAOQSMCAWXEFM-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.48
Rot. Bonds4

About 2-(cycloheptylamino)-2-(2,4-difluorophenyl)propan-1-ol

2-(cycloheptylamino)-2-(2,4-difluorophenyl)propan-1-ol (PubChem CID 61056358) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-(cycloheptylamino)-2-(2,4-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(cycloheptylamino)-2-(2,4-difluorophenyl)propan-1-ol
PubChem CID61056358
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name2-(cycloheptylamino)-2-(2,4-difluorophenyl)propan-1-ol
SMILESCC(CO)(NC1CCCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C16H23F2NO/c1-16(11-20,14-9-8-12(17)10-15(14)18)19-13-6-4-2-3-5-7-13/h8-10,13,19-20H,2-7,11H2,1H3
InChIKeyHWAOQSMCAWXEFM-UHFFFAOYSA-N
XLogP3.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylamino)-2-(2,4-difluorophenyl)propan-1-ol
CID 61046551
2-(cyclopentylamino)-2-(2,4-difluorophenyl)propan-1-ol
CID 61055166
2-(cyclohexylamino)-2-(3-fluorophenyl)propan-1-ol
CID 61047305
2-(cycloheptylamino)-2-(2,4-difluorophenyl)propanamide
CID 60997602
2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propan-1-ol
CID 61046929
2-(cyclohexylamino)-2-[2-(difluoromethoxy)phenyl]propan-1-ol
CID 61045823
2-(cyclohexylamino)-2-phenylpropan-1-ol
CID 61045452
2-(cycloheptylamino)-3-(3-fluorophenyl)-2-methylpropan-1-ol
CID 114834244
2-(cyclopentylamino)-2-phenylpropan-1-ol
CID 61053942
2-(cyclohexylamino)-2-(3-methylphenyl)propan-1-ol
CID 61310488
2-(cyclopropylamino)-2-(2,4-difluorophenyl)propanamide
CID 60795802
2-(2,4-difluorophenyl)propane-1,2-diol
CID 22107607

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-2-(2,4-difluorophenyl)propan-1-ol?
The IUPAC name of 2-(cycloheptylamino)-2-(2,4-difluorophenyl)propan-1-ol (CID 61056358) is 2-(cycloheptylamino)-2-(2,4-difluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(cycloheptylamino)-2-(2,4-difluorophenyl)propan-1-ol?
The canonical SMILES for 2-(cycloheptylamino)-2-(2,4-difluorophenyl)propan-1-ol is CC(CO)(NC1CCCCCC1)c1ccc(F)cc1F.
What is the InChIKey of 2-(cycloheptylamino)-2-(2,4-difluorophenyl)propan-1-ol?
The InChIKey is HWAOQSMCAWXEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-16(11-20,14-9-8-12(17)10-15(14)18)19-13-6-4-2-3-5-7-13/h8-10,13,19-20H,2-7,11H2,1H3.
What are the key properties of 2-(cycloheptylamino)-2-(2,4-difluorophenyl)propan-1-ol?
2-(cycloheptylamino)-2-(2,4-difluorophenyl)propan-1-ol has a molecular weight of 283.36 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-2-(2,4-difluorophenyl)propan-1-ol is sourced from PubChem (CID 61056358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).