1-amino-1-(2-chloro-5-fluoro-4-methylphenyl)propan-2-ol

C10H13ClFNO — CID 116859639

IUPAC1-amino-1-(2-chloro-5-fluoro-4-methylphenyl)propan-2-ol
SMILESCc1cc(Cl)c(C(N)C(C)O)cc1F
InChIInChI=1S/C10H13ClFNO/c1-5-3-8(11)7(4-9(5)12)10(13)6(2)14/h3-4,6,10,14H,13H2,1-2H3
InChIKeyAFFCOSMTFXTABE-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.17
Rot. Bonds2

About 1-amino-1-(2-chloro-5-fluoro-4-methylphenyl)propan-2-ol

1-amino-1-(2-chloro-5-fluoro-4-methylphenyl)propan-2-ol (PubChem CID 116859639) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 1-amino-1-(2-chloro-5-fluoro-4-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-1-(2-chloro-5-fluoro-4-methylphenyl)propan-2-ol
PubChem CID116859639
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name1-amino-1-(2-chloro-5-fluoro-4-methylphenyl)propan-2-ol
SMILESCc1cc(Cl)c(C(N)C(C)O)cc1F
InChIInChI=1S/C10H13ClFNO/c1-5-3-8(11)7(4-9(5)12)10(13)6(2)14/h3-4,6,10,14H,13H2,1-2H3
InChIKeyAFFCOSMTFXTABE-UHFFFAOYSA-N
XLogP2.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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

(1S,2R)-1-amino-1-(4-amino-2-chloro-5-methylphenyl)propan-2-ol
CID 131033842
3,4-diamino-4-(2-chloro-5-fluoro-4-methylphenyl)butanoic acid
CID 116942886
(1R,2S)-1-amino-1-(5-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
CID 171261661
(1S,2R)-1-amino-1-(2,4,5-trifluorophenyl)propan-2-ol
CID 131118070
(1R,2S)-1-amino-1-(2,4,5-trifluorophenyl)propan-2-ol
CID 130641514
(1R,2S)-1-amino-1-(2,6-dichloro-5-fluoro-3-pyridinyl)propan-2-ol
CID 131190586
(1-aminocyclopropyl)-(2-chloro-5-fluoro-4-methylphenyl)methanol
CID 116836252
3-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propanamide
CID 116850996
1-(2-chloro-4-fluoro-5-methylphenyl)-2,2-difluoroethanol
CID 104632767
(1S,2R)-1-amino-1-(5-chloro-2-methylphenyl)propan-2-ol
CID 130742251
(1R,2R)-1-amino-1-(5-chloro-2-methylphenyl)propan-2-ol
CID 130778314
(1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol
CID 130610740

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(2-chloro-5-fluoro-4-methylphenyl)propan-2-ol?
The IUPAC name of 1-amino-1-(2-chloro-5-fluoro-4-methylphenyl)propan-2-ol (CID 116859639) is 1-amino-1-(2-chloro-5-fluoro-4-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-amino-1-(2-chloro-5-fluoro-4-methylphenyl)propan-2-ol?
The canonical SMILES for 1-amino-1-(2-chloro-5-fluoro-4-methylphenyl)propan-2-ol is Cc1cc(Cl)c(C(N)C(C)O)cc1F.
What is the InChIKey of 1-amino-1-(2-chloro-5-fluoro-4-methylphenyl)propan-2-ol?
The InChIKey is AFFCOSMTFXTABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-5-3-8(11)7(4-9(5)12)10(13)6(2)14/h3-4,6,10,14H,13H2,1-2H3.
What are the key properties of 1-amino-1-(2-chloro-5-fluoro-4-methylphenyl)propan-2-ol?
1-amino-1-(2-chloro-5-fluoro-4-methylphenyl)propan-2-ol has a molecular weight of 217.67 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(2-chloro-5-fluoro-4-methylphenyl)propan-2-ol is sourced from PubChem (CID 116859639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).