3-amino-3-[3-(difluoromethoxy)phenyl]propan-1-ol

C10H13F2NO2 — CID 170874621

IUPAC3-amino-3-[3-(difluoromethoxy)phenyl]propan-1-ol
SMILESNC(CCO)c1cccc(OC(F)F)c1
InChIInChI=1S/C10H13F2NO2/c11-10(12)15-8-3-1-2-7(6-8)9(13)4-5-14/h1-3,6,9-10,14H,4-5,13H2
InChIKeyUGCRHESCIKBTGT-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.67
Rot. Bonds5

About 3-amino-3-[3-(difluoromethoxy)phenyl]propan-1-ol

3-amino-3-[3-(difluoromethoxy)phenyl]propan-1-ol (PubChem CID 170874621) has the molecular formula C10H13F2NO2 and a molecular weight of 217.22 g/mol. Its IUPAC name is 3-amino-3-[3-(difluoromethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-3-[3-(difluoromethoxy)phenyl]propan-1-ol
PubChem CID170874621
Molecular FormulaC10H13F2NO2
Molecular Weight217.22 g/mol
Exact Mass217.09
IUPAC Name3-amino-3-[3-(difluoromethoxy)phenyl]propan-1-ol
SMILESNC(CCO)c1cccc(OC(F)F)c1
InChIInChI=1S/C10H13F2NO2/c11-10(12)15-8-3-1-2-7(6-8)9(13)4-5-14/h1-3,6,9-10,14H,4-5,13H2
InChIKeyUGCRHESCIKBTGT-UHFFFAOYSA-N
XLogP1.67
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-3-[3-(difluoromethoxy)phenyl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[3-(difluoromethoxy)phenyl]butane-1,4-diamine;hydrochloride
CID 171206110
(1S)-1-[3-(difluoromethoxy)phenyl]pentane-1,5-diamine
CID 171225688
1-[3-(difluoromethoxy)phenyl]nonan-1-amine
CID 115835822
(1S)-1-[3-(difluoromethoxy)phenyl]pent-4-en-1-amine
CID 171225720
1-[3-(difluoromethoxy)phenyl]-2-methoxyethanamine
CID 112684585
(1R)-1-[3-(difluoromethoxy)phenyl]-3-methylbutan-1-amine;hydrochloride
CID 171206124
(4R)-4-amino-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-ol
CID 171208640
ethyl (3R)-3-amino-3-[3-(difluoromethoxy)phenyl]propanoate
CID 171206155
(2S)-2-amino-2-[3-(difluoromethoxy)phenyl]acetic acid
CID 66512368
(1S,2R)-1-amino-1-[3-(difluoromethoxy)phenyl]-5-methylhexan-2-ol
CID 171268457
2-(4-bromophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 61079788
1-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-amine
CID 104993455

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[3-(difluoromethoxy)phenyl]propan-1-ol?
The IUPAC name of 3-amino-3-[3-(difluoromethoxy)phenyl]propan-1-ol (CID 170874621) is 3-amino-3-[3-(difluoromethoxy)phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-3-[3-(difluoromethoxy)phenyl]propan-1-ol?
The canonical SMILES for 3-amino-3-[3-(difluoromethoxy)phenyl]propan-1-ol is NC(CCO)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-amino-3-[3-(difluoromethoxy)phenyl]propan-1-ol?
The InChIKey is UGCRHESCIKBTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2/c11-10(12)15-8-3-1-2-7(6-8)9(13)4-5-14/h1-3,6,9-10,14H,4-5,13H2.
What are the key properties of 3-amino-3-[3-(difluoromethoxy)phenyl]propan-1-ol?
3-amino-3-[3-(difluoromethoxy)phenyl]propan-1-ol has a molecular weight of 217.22 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[3-(difluoromethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 170874621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).