3-amino-3-(3-chloro-4-fluorophenyl)propan-1-ol

C9H11ClFNO — CID 64814499

IUPAC3-amino-3-(3-chloro-4-fluorophenyl)propan-1-ol
SMILESNC(CCO)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H11ClFNO/c10-7-5-6(1-2-8(7)11)9(12)3-4-13/h1-2,5,9,13H,3-4,12H2
InChIKeyJEZFBUIXMOAAEP-UHFFFAOYSA-N
MW203.64 g/mol
LogP1.86
Rot. Bonds3

About 3-amino-3-(3-chloro-4-fluorophenyl)propan-1-ol

3-amino-3-(3-chloro-4-fluorophenyl)propan-1-ol (PubChem CID 64814499) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 3-amino-3-(3-chloro-4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(3-chloro-4-fluorophenyl)propan-1-ol
PubChem CID64814499
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name3-amino-3-(3-chloro-4-fluorophenyl)propan-1-ol
SMILESNC(CCO)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H11ClFNO/c10-7-5-6(1-2-8(7)11)9(12)3-4-13/h1-2,5,9,13H,3-4,12H2
InChIKeyJEZFBUIXMOAAEP-UHFFFAOYSA-N
XLogP1.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-amino-4-(3-chloro-4-fluorophenyl)butan-1-ol
CID 171220953
2-amino-2-(3-chloro-4-fluorophenyl)ethanol
CID 3564183
3-amino-3-(4-chloro-3-fluorophenyl)propan-1-ol;hydrochloride
CID 170874594
1-(3-chloro-4-fluorophenyl)pentane-1,4-diamine
CID 116934362
(1S)-1-(3-chloro-4-fluorophenyl)-3-fluoropropan-1-amine
CID 131492690
(1R)-1-(3-chloro-4-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171201385
(3S)-3-amino-3-(3,4-difluorophenyl)propan-1-ol;hydrochloride
CID 171229659
4-[(1R)-1-amino-3-hydroxypropyl]-2-chlorophenol
CID 130691653
3-amino-3-(4-chlorophenyl)propan-1-ol
CID 17039435
5-[(1S)-1-amino-3-hydroxypropyl]-2-fluorophenol
CID 55270722
3-amino-3-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol
CID 55271579
(3R)-3-amino-3-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol
CID 55272189

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-chloro-4-fluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-3-(3-chloro-4-fluorophenyl)propan-1-ol (CID 64814499) is 3-amino-3-(3-chloro-4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(3-chloro-4-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-3-(3-chloro-4-fluorophenyl)propan-1-ol is NC(CCO)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-amino-3-(3-chloro-4-fluorophenyl)propan-1-ol?
The InChIKey is JEZFBUIXMOAAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c10-7-5-6(1-2-8(7)11)9(12)3-4-13/h1-2,5,9,13H,3-4,12H2.
What are the key properties of 3-amino-3-(3-chloro-4-fluorophenyl)propan-1-ol?
3-amino-3-(3-chloro-4-fluorophenyl)propan-1-ol has a molecular weight of 203.64 g/mol, XLogP of 1.86, 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-4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 64814499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).