3-(5-chloro-2-methoxy-N,3-dimethylanilino)propan-1-ol

C12H18ClNO2 — CID 115216751

IUPAC3-(5-chloro-2-methoxy-N,3-dimethylanilino)propan-1-ol
SMILESCOc1c(C)cc(Cl)cc1N(C)CCCO
InChIInChI=1S/C12H18ClNO2/c1-9-7-10(13)8-11(12(9)16-3)14(2)5-4-6-15/h7-8,15H,4-6H2,1-3H3
InChIKeyGTNXXZUBXUPESI-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.48
Rot. Bonds5

About 3-(5-chloro-2-methoxy-N,3-dimethylanilino)propan-1-ol

3-(5-chloro-2-methoxy-N,3-dimethylanilino)propan-1-ol (PubChem CID 115216751) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxy-N,3-dimethylanilino)propan-1-ol.

Molecular Properties

Compound Name3-(5-chloro-2-methoxy-N,3-dimethylanilino)propan-1-ol
PubChem CID115216751
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name3-(5-chloro-2-methoxy-N,3-dimethylanilino)propan-1-ol
SMILESCOc1c(C)cc(Cl)cc1N(C)CCCO
InChIInChI=1S/C12H18ClNO2/c1-9-7-10(13)8-11(12(9)16-3)14(2)5-4-6-15/h7-8,15H,4-6H2,1-3H3
InChIKeyGTNXXZUBXUPESI-UHFFFAOYSA-N
XLogP2.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dichloro-2-methoxy-N-methylanilino)propan-1-ol
CID 115216753
N'-(5-chloro-2-methoxy-3-methylphenyl)-N'-methylbutane-1,4-diamine
CID 115201119
2-(5-chloro-2-methoxy-N,3-dimethylanilino)ethanethiol
CID 115223816
N'-(5-chloro-2-methoxy-3-methylphenyl)-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 115206873
(5-chloro-2-methoxy-3-methylphenyl)-methylcarbamothioic S-acid
CID 115169836
3-amino-N-(5-chloro-2-methoxy-3-methylphenyl)-N-methylpropanamide
CID 82499843
2-N-(5-chloro-2-methoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine
CID 117039901
4-(2,5-dimethoxy-N,4-dimethylanilino)butan-1-ol
CID 115217502
N'-(3,5-dichloro-2-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
CID 96680421
N'-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 96672556
3-(2-methoxy-N,3,5-trimethylanilino)propanenitrile
CID 115230771
2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82288338

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxy-N,3-dimethylanilino)propan-1-ol?
The IUPAC name of 3-(5-chloro-2-methoxy-N,3-dimethylanilino)propan-1-ol (CID 115216751) is 3-(5-chloro-2-methoxy-N,3-dimethylanilino)propan-1-ol.
What is the SMILES notation for 3-(5-chloro-2-methoxy-N,3-dimethylanilino)propan-1-ol?
The canonical SMILES for 3-(5-chloro-2-methoxy-N,3-dimethylanilino)propan-1-ol is COc1c(C)cc(Cl)cc1N(C)CCCO.
What is the InChIKey of 3-(5-chloro-2-methoxy-N,3-dimethylanilino)propan-1-ol?
The InChIKey is GTNXXZUBXUPESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-9-7-10(13)8-11(12(9)16-3)14(2)5-4-6-15/h7-8,15H,4-6H2,1-3H3.
What are the key properties of 3-(5-chloro-2-methoxy-N,3-dimethylanilino)propan-1-ol?
3-(5-chloro-2-methoxy-N,3-dimethylanilino)propan-1-ol has a molecular weight of 243.73 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxy-N,3-dimethylanilino)propan-1-ol is sourced from PubChem (CID 115216751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).