2-amino-3-(2-chloroanilino)propan-1-ol

C9H13ClN2O — CID 67271786

IUPAC2-amino-3-(2-chloroanilino)propan-1-ol
SMILESNC(CO)CNc1ccccc1Cl
InChIInChI=1S/C9H13ClN2O/c10-8-3-1-2-4-9(8)12-5-7(11)6-13/h1-4,7,12-13H,5-6,11H2
InChIKeyFEOBVKMXJQBMKA-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.07
Rot. Bonds4

About 2-amino-3-(2-chloroanilino)propan-1-ol

2-amino-3-(2-chloroanilino)propan-1-ol (PubChem CID 67271786) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 2-amino-3-(2-chloroanilino)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(2-chloroanilino)propan-1-ol
PubChem CID67271786
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name2-amino-3-(2-chloroanilino)propan-1-ol
SMILESNC(CO)CNc1ccccc1Cl
InChIInChI=1S/C9H13ClN2O/c10-8-3-1-2-4-9(8)12-5-7(11)6-13/h1-4,7,12-13H,5-6,11H2
InChIKeyFEOBVKMXJQBMKA-UHFFFAOYSA-N
XLogP1.07
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloroanilino)-3-fluoropropan-2-ol
CID 130859302
(2R,3S)-3-amino-1-(2-chloroanilino)-4-phenylbutan-2-ol
CID 69147350
3-(2-chloroanilino)-2-methylpropanethioamide
CID 82081467
2-chloro-N-(2-ethylbutyl)aniline
CID 29278221
1-(2-chloroanilino)-3-methoxypropan-2-ol
CID 63929228
2-(2-chloroanilino)acetohydrazide;hydrochloride
CID 131089719
(2S)-3-(2,3-dichloroanilino)propane-1,2-diol
CID 61143030
2-amino-3-(2,6-dichlorophenyl)propan-1-ol
CID 18387991
2-amino-4-(2-chlorophenyl)butan-1-ol
CID 56656008
(2S)-3-(3-chloro-2-fluoroanilino)propane-1,2-diol
CID 61143077
2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60898565
2-(2-chloroanilino)-1-(3-methylphenyl)ethanol
CID 82044958

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-chloroanilino)propan-1-ol?
The IUPAC name of 2-amino-3-(2-chloroanilino)propan-1-ol (CID 67271786) is 2-amino-3-(2-chloroanilino)propan-1-ol.
What is the SMILES notation for 2-amino-3-(2-chloroanilino)propan-1-ol?
The canonical SMILES for 2-amino-3-(2-chloroanilino)propan-1-ol is NC(CO)CNc1ccccc1Cl.
What is the InChIKey of 2-amino-3-(2-chloroanilino)propan-1-ol?
The InChIKey is FEOBVKMXJQBMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c10-8-3-1-2-4-9(8)12-5-7(11)6-13/h1-4,7,12-13H,5-6,11H2.
What are the key properties of 2-amino-3-(2-chloroanilino)propan-1-ol?
2-amino-3-(2-chloroanilino)propan-1-ol has a molecular weight of 200.67 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-chloroanilino)propan-1-ol is sourced from PubChem (CID 67271786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).