3-amino-3-(3,4-difluoro-5-methoxyphenyl)propan-1-ol

C10H13F2NO2 — CID 84785101

IUPAC3-amino-3-(3,4-difluoro-5-methoxyphenyl)propan-1-ol
SMILESCOc1cc(C(N)CCO)cc(F)c1F
InChIInChI=1S/C10H13F2NO2/c1-15-9-5-6(8(13)2-3-14)4-7(11)10(9)12/h4-5,8,14H,2-3,13H2,1H3
InChIKeyKFMCBEZLLKKXPO-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.36
Rot. Bonds4

About 3-amino-3-(3,4-difluoro-5-methoxyphenyl)propan-1-ol

3-amino-3-(3,4-difluoro-5-methoxyphenyl)propan-1-ol (PubChem CID 84785101) has the molecular formula C10H13F2NO2 and a molecular weight of 217.22 g/mol. Its IUPAC name is 3-amino-3-(3,4-difluoro-5-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(3,4-difluoro-5-methoxyphenyl)propan-1-ol
PubChem CID84785101
Molecular FormulaC10H13F2NO2
Molecular Weight217.22 g/mol
Exact Mass217.09
IUPAC Name3-amino-3-(3,4-difluoro-5-methoxyphenyl)propan-1-ol
SMILESCOc1cc(C(N)CCO)cc(F)c1F
InChIInChI=1S/C10H13F2NO2/c1-15-9-5-6(8(13)2-3-14)4-7(11)10(9)12/h4-5,8,14H,2-3,13H2,1H3
InChIKeyKFMCBEZLLKKXPO-UHFFFAOYSA-N
XLogP1.36
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(3,4-difluoro-5-methoxyphenyl)ethanol
CID 67606911
(2R)-2-amino-2-(3,4-difluoro-5-methoxyphenyl)ethanol
CID 66514185
(3S)-3-amino-3-(4-bromo-3,5-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171221844
(3R)-3-amino-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171214010
3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 132961318
3-amino-3-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 170874761
4-[(1S)-1-amino-3-hydroxypropyl]-2-bromo-6-methoxyphenol
CID 171226166
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol
CID 116861391
(4S)-4-amino-4-(4-fluoro-3-methoxyphenyl)butan-1-ol
CID 171225472
(1S)-1-(3,4-difluoro-5-methoxyphenyl)ethanol
CID 97293354
(4R)-4-amino-4-(4-fluoro-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171205896
4-[(1S)-1,3-diaminopropyl]-2,6-dimethoxyphenol
CID 171219296

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3,4-difluoro-5-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-amino-3-(3,4-difluoro-5-methoxyphenyl)propan-1-ol (CID 84785101) is 3-amino-3-(3,4-difluoro-5-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(3,4-difluoro-5-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-amino-3-(3,4-difluoro-5-methoxyphenyl)propan-1-ol is COc1cc(C(N)CCO)cc(F)c1F.
What is the InChIKey of 3-amino-3-(3,4-difluoro-5-methoxyphenyl)propan-1-ol?
The InChIKey is KFMCBEZLLKKXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2/c1-15-9-5-6(8(13)2-3-14)4-7(11)10(9)12/h4-5,8,14H,2-3,13H2,1H3.
What are the key properties of 3-amino-3-(3,4-difluoro-5-methoxyphenyl)propan-1-ol?
3-amino-3-(3,4-difluoro-5-methoxyphenyl)propan-1-ol has a molecular weight of 217.22 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3,4-difluoro-5-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 84785101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).