3-amino-3-(3-chloro-2-fluoro-5-methylphenyl)propan-1-ol

C10H13ClFNO — CID 84683308

IUPAC3-amino-3-(3-chloro-2-fluoro-5-methylphenyl)propan-1-ol
SMILESCc1cc(Cl)c(F)c(C(N)CCO)c1
InChIInChI=1S/C10H13ClFNO/c1-6-4-7(9(13)2-3-14)10(12)8(11)5-6/h4-5,9,14H,2-3,13H2,1H3
InChIKeyJMQXWORBOONXTJ-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.17
Rot. Bonds3

About 3-amino-3-(3-chloro-2-fluoro-5-methylphenyl)propan-1-ol

3-amino-3-(3-chloro-2-fluoro-5-methylphenyl)propan-1-ol (PubChem CID 84683308) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 3-amino-3-(3-chloro-2-fluoro-5-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(3-chloro-2-fluoro-5-methylphenyl)propan-1-ol
PubChem CID84683308
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name3-amino-3-(3-chloro-2-fluoro-5-methylphenyl)propan-1-ol
SMILESCc1cc(Cl)c(F)c(C(N)CCO)c1
InChIInChI=1S/C10H13ClFNO/c1-6-4-7(9(13)2-3-14)10(12)8(11)5-6/h4-5,9,14H,2-3,13H2,1H3
InChIKeyJMQXWORBOONXTJ-UHFFFAOYSA-N
XLogP2.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-(3-fluoro-2,5-dimethylphenyl)propan-1-ol
CID 84774435
2-(3-chloro-2-fluoro-5-methylphenyl)propan-1-ol
CID 117291192
(3S)-3-amino-3-(4,5-dichloro-2-methylphenyl)propan-1-ol
CID 131011081
(3R)-3-amino-3-(2-fluoro-5-methylphenyl)propan-1-ol;hydrochloride
CID 171204045
(3S)-3-amino-3-(2-chloro-5-fluorophenyl)propan-1-ol;hydrochloride
CID 171224218
3-amino-3-(2-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 82283950
1-(3-chloro-2-fluoro-5-methylphenyl)-2-(methylamino)ethanol
CID 84683309
(3S)-3-amino-3-(3-chloro-2-methylphenyl)propan-1-ol
CID 55272388
(3R)-3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol
CID 130740189
3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol
CID 84711249
3-amino-3-(3-chloro-2,4-difluorophenyl)propan-1-ol
CID 84788312
(3R)-3-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 55264636

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-chloro-2-fluoro-5-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-3-(3-chloro-2-fluoro-5-methylphenyl)propan-1-ol (CID 84683308) is 3-amino-3-(3-chloro-2-fluoro-5-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(3-chloro-2-fluoro-5-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-3-(3-chloro-2-fluoro-5-methylphenyl)propan-1-ol is Cc1cc(Cl)c(F)c(C(N)CCO)c1.
What is the InChIKey of 3-amino-3-(3-chloro-2-fluoro-5-methylphenyl)propan-1-ol?
The InChIKey is JMQXWORBOONXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-6-4-7(9(13)2-3-14)10(12)8(11)5-6/h4-5,9,14H,2-3,13H2,1H3.
What are the key properties of 3-amino-3-(3-chloro-2-fluoro-5-methylphenyl)propan-1-ol?
3-amino-3-(3-chloro-2-fluoro-5-methylphenyl)propan-1-ol has a molecular weight of 217.67 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-chloro-2-fluoro-5-methylphenyl)propan-1-ol is sourced from PubChem (CID 84683308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).