3-[3-(difluoromethoxy)phenyl]-3-(propylamino)butan-1-ol

C14H21F2NO2 — CID 65234913

IUPAC3-[3-(difluoromethoxy)phenyl]-3-(propylamino)butan-1-ol
SMILESCCCNC(C)(CCO)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H21F2NO2/c1-3-8-17-14(2,7-9-18)11-5-4-6-12(10-11)19-13(15)16/h4-6,10,13,17-18H,3,7-9H2,1-2H3
InChIKeyOOCAHMMEADTFGJ-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.89
Rot. Bonds8

About 3-[3-(difluoromethoxy)phenyl]-3-(propylamino)butan-1-ol

3-[3-(difluoromethoxy)phenyl]-3-(propylamino)butan-1-ol (PubChem CID 65234913) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is 3-[3-(difluoromethoxy)phenyl]-3-(propylamino)butan-1-ol.

Molecular Properties

Compound Name3-[3-(difluoromethoxy)phenyl]-3-(propylamino)butan-1-ol
PubChem CID65234913
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Name3-[3-(difluoromethoxy)phenyl]-3-(propylamino)butan-1-ol
SMILESCCCNC(C)(CCO)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H21F2NO2/c1-3-8-17-14(2,7-9-18)11-5-4-6-12(10-11)19-13(15)16/h4-6,10,13,17-18H,3,7-9H2,1-2H3
InChIKeyOOCAHMMEADTFGJ-UHFFFAOYSA-N
XLogP2.89
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(difluoromethoxy)phenyl]-2-(propylamino)propanoic acid
CID 43754107
1-amino-2-[3-(difluoromethoxy)phenyl]propan-2-ol
CID 107105450
1,1-difluoro-2-(3-methoxyphenyl)-N-propylpropan-2-amine
CID 80605062
methyl 2-[4-(difluoromethoxy)phenyl]-2-(propylamino)propanoate
CID 60795366
2-[3-(difluoromethoxy)phenyl]-2-[2-(dimethylamino)ethylamino]propanoic acid
CID 61001276
N-butyl-3-(difluoromethoxy)aniline
CID 43699124
1-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 13405100
4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(propylamino)butan-1-ol
CID 61055180
3-naphthalen-1-yl-3-(propylamino)butan-1-ol
CID 65234850
2-chloro-2-[3-(difluoromethoxy)phenyl]-3-hydroxypropanoic acid
CID 150337614
3-(difluoromethoxy)-N-hexylaniline
CID 43698714
3-(3-tert-butylphenoxy)-2-methyl-2-(propylamino)propan-1-ol
CID 64806675

Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethoxy)phenyl]-3-(propylamino)butan-1-ol?
The IUPAC name of 3-[3-(difluoromethoxy)phenyl]-3-(propylamino)butan-1-ol (CID 65234913) is 3-[3-(difluoromethoxy)phenyl]-3-(propylamino)butan-1-ol.
What is the SMILES notation for 3-[3-(difluoromethoxy)phenyl]-3-(propylamino)butan-1-ol?
The canonical SMILES for 3-[3-(difluoromethoxy)phenyl]-3-(propylamino)butan-1-ol is CCCNC(C)(CCO)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-[3-(difluoromethoxy)phenyl]-3-(propylamino)butan-1-ol?
The InChIKey is OOCAHMMEADTFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-3-8-17-14(2,7-9-18)11-5-4-6-12(10-11)19-13(15)16/h4-6,10,13,17-18H,3,7-9H2,1-2H3.
What are the key properties of 3-[3-(difluoromethoxy)phenyl]-3-(propylamino)butan-1-ol?
3-[3-(difluoromethoxy)phenyl]-3-(propylamino)butan-1-ol has a molecular weight of 273.32 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethoxy)phenyl]-3-(propylamino)butan-1-ol is sourced from PubChem (CID 65234913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).