1-(2-chloroanilino)-3-methoxypropan-2-ol

C10H14ClNO2 — CID 63929228

IUPAC1-(2-chloroanilino)-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1ccccc1Cl
InChIInChI=1S/C10H14ClNO2/c1-14-7-8(13)6-12-10-5-3-2-4-9(10)11/h2-5,8,12-13H,6-7H2,1H3
InChIKeyNECNFPKVFXOKNP-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.76
Rot. Bonds5

About 1-(2-chloroanilino)-3-methoxypropan-2-ol

1-(2-chloroanilino)-3-methoxypropan-2-ol (PubChem CID 63929228) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 1-(2-chloroanilino)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(2-chloroanilino)-3-methoxypropan-2-ol
PubChem CID63929228
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name1-(2-chloroanilino)-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1ccccc1Cl
InChIInChI=1S/C10H14ClNO2/c1-14-7-8(13)6-12-10-5-3-2-4-9(10)11/h2-5,8,12-13H,6-7H2,1H3
InChIKeyNECNFPKVFXOKNP-UHFFFAOYSA-N
XLogP1.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-chloroanilino)-3-methoxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloroanilino)-3-fluoropropan-2-ol
CID 130859302
1-(2-chlorophenoxy)-3-(2-methoxyanilino)propan-2-ol
CID 60898981
1-(2-bromo-3-chloroanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106990645
4-[3-(2-chloroanilino)-2-hydroxypropoxy]benzonitrile
CID 60720665
1-(2,5-dichloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989019
2-chloro-N-(1-methoxypropan-2-yl)aniline
CID 62535626
1-(2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989033
1-(1-methoxypropan-2-yloxy)-3-(2-propan-2-ylanilino)propan-2-ol
CID 106989088
[3-(2-chloroanilino)-2-hydroxypropyl]-[(2-chlorophenyl)methyl]-dimethylazanium
CID 3064860
2-chloro-N-(2-ethylbutyl)aniline
CID 29278221
1-(2-butoxyethoxy)-3-(2,3-dichloroanilino)propan-2-ol
CID 60899614
2-amino-3-[(2-hydroxy-3-methoxypropyl)amino]benzonitrile
CID 104716802

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroanilino)-3-methoxypropan-2-ol?
The IUPAC name of 1-(2-chloroanilino)-3-methoxypropan-2-ol (CID 63929228) is 1-(2-chloroanilino)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(2-chloroanilino)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(2-chloroanilino)-3-methoxypropan-2-ol is COCC(O)CNc1ccccc1Cl.
What is the InChIKey of 1-(2-chloroanilino)-3-methoxypropan-2-ol?
The InChIKey is NECNFPKVFXOKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-14-7-8(13)6-12-10-5-3-2-4-9(10)11/h2-5,8,12-13H,6-7H2,1H3.
What are the key properties of 1-(2-chloroanilino)-3-methoxypropan-2-ol?
1-(2-chloroanilino)-3-methoxypropan-2-ol has a molecular weight of 215.68 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroanilino)-3-methoxypropan-2-ol is sourced from PubChem (CID 63929228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).