(3S)-3-amino-3-(2-chloro-3-iodophenyl)propan-1-ol

C9H11ClINO — CID 130987859

IUPAC(3S)-3-amino-3-(2-chloro-3-iodophenyl)propan-1-ol
SMILESN[C@@H](CCO)c1cccc(I)c1Cl
InChIInChI=1S/C9H11ClINO/c10-9-6(8(12)4-5-13)2-1-3-7(9)11/h1-3,8,13H,4-5,12H2/t8-/m0/s1
InChIKeyGSCXBFGXFBTRLW-QMMMGPOBSA-N
MW311.55 g/mol
LogP2.33
Rot. Bonds3

About (3S)-3-amino-3-(2-chloro-3-iodophenyl)propan-1-ol

(3S)-3-amino-3-(2-chloro-3-iodophenyl)propan-1-ol (PubChem CID 130987859) has the molecular formula C9H11ClINO and a molecular weight of 311.55 g/mol. Its IUPAC name is (3S)-3-amino-3-(2-chloro-3-iodophenyl)propan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-3-(2-chloro-3-iodophenyl)propan-1-ol
PubChem CID130987859
Molecular FormulaC9H11ClINO
Molecular Weight311.55 g/mol
Exact Mass310.96
IUPAC Name(3S)-3-amino-3-(2-chloro-3-iodophenyl)propan-1-ol
SMILESN[C@@H](CCO)c1cccc(I)c1Cl
InChIInChI=1S/C9H11ClINO/c10-9-6(8(12)4-5-13)2-1-3-7(9)11/h1-3,8,13H,4-5,12H2/t8-/m0/s1
InChIKeyGSCXBFGXFBTRLW-QMMMGPOBSA-N
XLogP2.33
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.55
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-amino-3-(2-iodophenyl)propan-1-ol;hydrochloride
CID 171230144
3-amino-3-(2-chloro-3-iodophenyl)propanenitrile
CID 130043829
(3S)-3-amino-3-(3-chloro-2-methylphenyl)propan-1-ol
CID 55272388
(3S)-3-amino-3-(2,3-dibromophenyl)propan-1-ol
CID 130664899
(3R)-3-amino-3-(2-fluoro-6-iodophenyl)propan-1-ol
CID 130706379
2-(1-amino-3-hydroxypropyl)phenol;hydrochloride
CID 170874374
2-chloro-1-(difluoromethyl)-3-iodobenzene
CID 118995834
3-amino-3-(2,3-dichloro-4-methoxyphenyl)propan-1-ol
CID 116937817
(3S)-3-amino-3-(2,3-difluorophenyl)propan-1-ol;hydrochloride
CID 171223730
(1R)-1-(2,3-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171204529
(1S)-1-(2-chloro-3-fluorophenyl)propane-1,3-diamine
CID 171222588
(3R)-3-amino-3-(2-bromo-3-methylphenyl)propan-1-ol
CID 130955641

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(2-chloro-3-iodophenyl)propan-1-ol?
The IUPAC name of (3S)-3-amino-3-(2-chloro-3-iodophenyl)propan-1-ol (CID 130987859) is (3S)-3-amino-3-(2-chloro-3-iodophenyl)propan-1-ol.
What is the SMILES notation for (3S)-3-amino-3-(2-chloro-3-iodophenyl)propan-1-ol?
The canonical SMILES for (3S)-3-amino-3-(2-chloro-3-iodophenyl)propan-1-ol is N[C@@H](CCO)c1cccc(I)c1Cl.
What is the InChIKey of (3S)-3-amino-3-(2-chloro-3-iodophenyl)propan-1-ol?
The InChIKey is GSCXBFGXFBTRLW-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11ClINO/c10-9-6(8(12)4-5-13)2-1-3-7(9)11/h1-3,8,13H,4-5,12H2/t8-/m0/s1.
What are the key properties of (3S)-3-amino-3-(2-chloro-3-iodophenyl)propan-1-ol?
(3S)-3-amino-3-(2-chloro-3-iodophenyl)propan-1-ol has a molecular weight of 311.55 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(2-chloro-3-iodophenyl)propan-1-ol is sourced from PubChem (CID 130987859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).