3-chloro-1-(2,3-dimethylanilino)propan-1-ol

C11H16ClNO — CID 70487201

IUPAC3-chloro-1-(2,3-dimethylanilino)propan-1-ol
SMILESCc1cccc(NC(O)CCCl)c1C
InChIInChI=1S/C11H16ClNO/c1-8-4-3-5-10(9(8)2)13-11(14)6-7-12/h3-5,11,13-14H,6-7H2,1-2H3
InChIKeyILVDXLLJBYJOII-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.66
Rot. Bonds4

About 3-chloro-1-(2,3-dimethylanilino)propan-1-ol

3-chloro-1-(2,3-dimethylanilino)propan-1-ol (PubChem CID 70487201) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 3-chloro-1-(2,3-dimethylanilino)propan-1-ol.

Molecular Properties

Compound Name3-chloro-1-(2,3-dimethylanilino)propan-1-ol
PubChem CID70487201
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name3-chloro-1-(2,3-dimethylanilino)propan-1-ol
SMILESCc1cccc(NC(O)CCCl)c1C
InChIInChI=1S/C11H16ClNO/c1-8-4-3-5-10(9(8)2)13-11(14)6-7-12/h3-5,11,13-14H,6-7H2,1-2H3
InChIKeyILVDXLLJBYJOII-UHFFFAOYSA-N
XLogP2.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dimethylanilino)propan-1-ol
CID 21221760
3-N-(2,3-dimethylphenyl)butane-1,3-diamine
CID 117027018
2-(2,3-dimethylanilino)propanoic acid
CID 13138172
2,3-dimethyl-N-nonan-2-ylaniline
CID 43129897
methyl 3-(2,3-dimethylanilino)butanoate
CID 43536788
2,3-dimethyl-N-(3-methylbutyl)aniline
CID 29053614
2-(2,3-dimethylanilino)-3-methylpentanamide
CID 174388293
N-(1-cyclopropylethyl)-2,3-dimethylaniline
CID 43196438
1-chloro-N-(2,3-dimethylphenyl)methanesulfonamide
CID 63665725
N-[1-(3-chlorophenyl)propyl]-2,3-dimethylaniline
CID 43097470
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
4-chloro-2-[1-(2,3-dimethylanilino)ethyl]phenol
CID 2947511

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2,3-dimethylanilino)propan-1-ol?
The IUPAC name of 3-chloro-1-(2,3-dimethylanilino)propan-1-ol (CID 70487201) is 3-chloro-1-(2,3-dimethylanilino)propan-1-ol.
What is the SMILES notation for 3-chloro-1-(2,3-dimethylanilino)propan-1-ol?
The canonical SMILES for 3-chloro-1-(2,3-dimethylanilino)propan-1-ol is Cc1cccc(NC(O)CCCl)c1C.
What is the InChIKey of 3-chloro-1-(2,3-dimethylanilino)propan-1-ol?
The InChIKey is ILVDXLLJBYJOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-8-4-3-5-10(9(8)2)13-11(14)6-7-12/h3-5,11,13-14H,6-7H2,1-2H3.
What are the key properties of 3-chloro-1-(2,3-dimethylanilino)propan-1-ol?
3-chloro-1-(2,3-dimethylanilino)propan-1-ol has a molecular weight of 213.71 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2,3-dimethylanilino)propan-1-ol is sourced from PubChem (CID 70487201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).