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

C14H19F2NO — CID 61055166

IUPAC2-(cyclopentylamino)-2-(2,4-difluorophenyl)propan-1-ol
SMILESCC(CO)(NC1CCCC1)c1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO/c1-14(9-18,17-11-4-2-3-5-11)12-7-6-10(15)8-13(12)16/h6-8,11,17-18H,2-5,9H2,1H3
InChIKeyJXLIMPDBGJACIG-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.70
Rot. Bonds4

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

2-(cyclopentylamino)-2-(2,4-difluorophenyl)propan-1-ol (PubChem CID 61055166) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-(cyclopentylamino)-2-(2,4-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(cyclopentylamino)-2-(2,4-difluorophenyl)propan-1-ol
PubChem CID61055166
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name2-(cyclopentylamino)-2-(2,4-difluorophenyl)propan-1-ol
SMILESCC(CO)(NC1CCCC1)c1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO/c1-14(9-18,17-11-4-2-3-5-11)12-7-6-10(15)8-13(12)16/h6-8,11,17-18H,2-5,9H2,1H3
InChIKeyJXLIMPDBGJACIG-UHFFFAOYSA-N
XLogP2.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cycloheptylamino)-2-(2,4-difluorophenyl)propan-1-ol
CID 61056358
2-(cyclohexylamino)-2-(2,4-difluorophenyl)propan-1-ol
CID 61046551
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-(cyclopentylamino)-2-phenylpropan-1-ol
CID 61053942
2-(cyclopropylamino)-2-(2,4-difluorophenyl)propanamide
CID 60795802
2-(cyclohexylamino)-2-[2-(difluoromethoxy)phenyl]propan-1-ol
CID 61045823
2-(cyclohexylamino)-2-phenylpropan-1-ol
CID 61045452
2-(2,4-difluorophenyl)propane-1,2-diol
CID 22107607
1-(cyclopropylamino)-2-(2,4-difluorophenyl)propan-2-ol
CID 62772825
2-(cyclopropylamino)-4-(2,4-difluorophenoxy)-2-methylbutan-1-ol
CID 64803671

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-2-(2,4-difluorophenyl)propan-1-ol?
The IUPAC name of 2-(cyclopentylamino)-2-(2,4-difluorophenyl)propan-1-ol (CID 61055166) is 2-(cyclopentylamino)-2-(2,4-difluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(cyclopentylamino)-2-(2,4-difluorophenyl)propan-1-ol?
The canonical SMILES for 2-(cyclopentylamino)-2-(2,4-difluorophenyl)propan-1-ol is CC(CO)(NC1CCCC1)c1ccc(F)cc1F.
What is the InChIKey of 2-(cyclopentylamino)-2-(2,4-difluorophenyl)propan-1-ol?
The InChIKey is JXLIMPDBGJACIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-14(9-18,17-11-4-2-3-5-11)12-7-6-10(15)8-13(12)16/h6-8,11,17-18H,2-5,9H2,1H3.
What are the key properties of 2-(cyclopentylamino)-2-(2,4-difluorophenyl)propan-1-ol?
2-(cyclopentylamino)-2-(2,4-difluorophenyl)propan-1-ol has a molecular weight of 255.31 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-2-(2,4-difluorophenyl)propan-1-ol is sourced from PubChem (CID 61055166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).