3-amino-3-(3-chloro-4-fluoro-2-methoxyphenyl)propan-1-ol

C10H13ClFNO2 — CID 84697218

IUPAC3-amino-3-(3-chloro-4-fluoro-2-methoxyphenyl)propan-1-ol
SMILESCOc1c(C(N)CCO)ccc(F)c1Cl
InChIInChI=1S/C10H13ClFNO2/c1-15-10-6(8(13)4-5-14)2-3-7(12)9(10)11/h2-3,8,14H,4-5,13H2,1H3
InChIKeySLAMPYXXMPGULA-UHFFFAOYSA-N
MW233.67 g/mol
LogP1.87
Rot. Bonds4

About 3-amino-3-(3-chloro-4-fluoro-2-methoxyphenyl)propan-1-ol

3-amino-3-(3-chloro-4-fluoro-2-methoxyphenyl)propan-1-ol (PubChem CID 84697218) has the molecular formula C10H13ClFNO2 and a molecular weight of 233.67 g/mol. Its IUPAC name is 3-amino-3-(3-chloro-4-fluoro-2-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(3-chloro-4-fluoro-2-methoxyphenyl)propan-1-ol
PubChem CID84697218
Molecular FormulaC10H13ClFNO2
Molecular Weight233.67 g/mol
Exact Mass233.06
IUPAC Name3-amino-3-(3-chloro-4-fluoro-2-methoxyphenyl)propan-1-ol
SMILESCOc1c(C(N)CCO)ccc(F)c1Cl
InChIInChI=1S/C10H13ClFNO2/c1-15-10-6(8(13)4-5-14)2-3-7(12)9(10)11/h2-3,8,14H,4-5,13H2,1H3
InChIKeySLAMPYXXMPGULA-UHFFFAOYSA-N
XLogP1.87
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(3-chloro-2,4-difluorophenyl)propan-1-ol
CID 84788312
3-amino-3-(2,3-dichloro-4-methoxyphenyl)propan-1-ol
CID 116937817
3-(1-amino-3-hydroxypropyl)-2-chloro-6-methoxyphenol;hydrochloride
CID 170874866
ethyl 2-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetate
CID 117411374
(3S)-3-amino-3-(4-chloro-2-methylphenyl)propan-1-ol
CID 131144923
2-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117341279
2-(3-chloro-4-fluoro-2-methoxyphenyl)propanoic acid
CID 117337131
3-amino-3-(2-chloro-4-methoxyphenyl)propan-1-ol
CID 82284820
(3R)-3-amino-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171214010
(4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol
CID 171219632
3-amino-3-(2-chloro-5-methoxyphenyl)propan-1-ol
CID 84681414
4-[(1S)-1-amino-3-hydroxypropyl]-3-fluorophenol
CID 55270720

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-chloro-4-fluoro-2-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-amino-3-(3-chloro-4-fluoro-2-methoxyphenyl)propan-1-ol (CID 84697218) is 3-amino-3-(3-chloro-4-fluoro-2-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(3-chloro-4-fluoro-2-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-amino-3-(3-chloro-4-fluoro-2-methoxyphenyl)propan-1-ol is COc1c(C(N)CCO)ccc(F)c1Cl.
What is the InChIKey of 3-amino-3-(3-chloro-4-fluoro-2-methoxyphenyl)propan-1-ol?
The InChIKey is SLAMPYXXMPGULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2/c1-15-10-6(8(13)4-5-14)2-3-7(12)9(10)11/h2-3,8,14H,4-5,13H2,1H3.
What are the key properties of 3-amino-3-(3-chloro-4-fluoro-2-methoxyphenyl)propan-1-ol?
3-amino-3-(3-chloro-4-fluoro-2-methoxyphenyl)propan-1-ol has a molecular weight of 233.67 g/mol, XLogP of 1.87, 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-chloro-4-fluoro-2-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 84697218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).