1-(cyclopentylamino)-3-(3,4-difluorophenoxy)propan-2-ol

C14H19F2NO2 — CID 111104815

IUPAC1-(cyclopentylamino)-3-(3,4-difluorophenoxy)propan-2-ol
SMILESOC(CNC1CCCC1)COc1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO2/c15-13-6-5-12(7-14(13)16)19-9-11(18)8-17-10-3-1-2-4-10/h5-7,10-11,17-18H,1-4,8-9H2
InChIKeyZKHUNXUBESGGTA-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.24
Rot. Bonds6

About 1-(cyclopentylamino)-3-(3,4-difluorophenoxy)propan-2-ol

1-(cyclopentylamino)-3-(3,4-difluorophenoxy)propan-2-ol (PubChem CID 111104815) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 1-(cyclopentylamino)-3-(3,4-difluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopentylamino)-3-(3,4-difluorophenoxy)propan-2-ol
PubChem CID111104815
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name1-(cyclopentylamino)-3-(3,4-difluorophenoxy)propan-2-ol
SMILESOC(CNC1CCCC1)COc1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO2/c15-13-6-5-12(7-14(13)16)19-9-11(18)8-17-10-3-1-2-4-10/h5-7,10-11,17-18H,1-4,8-9H2
InChIKeyZKHUNXUBESGGTA-UHFFFAOYSA-N
XLogP2.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 2967956
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclohexanecarboxamide
CID 111102881
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclobutanecarboxamide
CID 111102858
4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile
CID 93381192
1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 18838017
1-(cyclopropylamino)-3-(2,3,5,6-tetrafluorophenoxy)propan-2-ol
CID 103289374
1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol
CID 55066785
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidine-2-carboxamide;hydrochloride
CID 119319070
(2S)-1-(4-fluorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 93386645
1-(cyclopentylamino)-3-(3-methyl-4-methylsulfonylphenoxy)propan-2-ol
CID 22766012

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)-3-(3,4-difluorophenoxy)propan-2-ol?
The IUPAC name of 1-(cyclopentylamino)-3-(3,4-difluorophenoxy)propan-2-ol (CID 111104815) is 1-(cyclopentylamino)-3-(3,4-difluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(cyclopentylamino)-3-(3,4-difluorophenoxy)propan-2-ol?
The canonical SMILES for 1-(cyclopentylamino)-3-(3,4-difluorophenoxy)propan-2-ol is OC(CNC1CCCC1)COc1ccc(F)c(F)c1.
What is the InChIKey of 1-(cyclopentylamino)-3-(3,4-difluorophenoxy)propan-2-ol?
The InChIKey is ZKHUNXUBESGGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c15-13-6-5-12(7-14(13)16)19-9-11(18)8-17-10-3-1-2-4-10/h5-7,10-11,17-18H,1-4,8-9H2.
What are the key properties of 1-(cyclopentylamino)-3-(3,4-difluorophenoxy)propan-2-ol?
1-(cyclopentylamino)-3-(3,4-difluorophenoxy)propan-2-ol has a molecular weight of 271.31 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)-3-(3,4-difluorophenoxy)propan-2-ol is sourced from PubChem (CID 111104815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).