3-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol

C12H18ClNO2 — CID 83928505

IUPAC3-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol
SMILESCOc1ccc(C(CCO)N(C)C)cc1Cl
InChIInChI=1S/C12H18ClNO2/c1-14(2)11(6-7-15)9-4-5-12(16-3)10(13)8-9/h4-5,8,11,15H,6-7H2,1-3H3
InChIKeyNMMQCPMQEAWQTG-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.33
Rot. Bonds5

About 3-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol

3-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol (PubChem CID 83928505) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol
PubChem CID83928505
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name3-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol
SMILESCOc1ccc(C(CCO)N(C)C)cc1Cl
InChIInChI=1S/C12H18ClNO2/c1-14(2)11(6-7-15)9-4-5-12(16-3)10(13)8-9/h4-5,8,11,15H,6-7H2,1-3H3
InChIKeyNMMQCPMQEAWQTG-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-(3-chloro-4-methoxyphenyl)-N,N-dimethylethanamine
CID 116907396
3-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-ol
CID 83931252
3-(3-bromo-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 83926098
3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)propan-1-ol
CID 83935225
(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768
3-(2,5-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 83938229
2-(dimethylamino)-2-(4-methoxy-3-methylphenyl)ethanol
CID 116857211
N'-[amino-[1-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propyl]amino]ethanimidamide
CID 143906298
1-(3-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43480902
N-chloro-1-(3-chloro-4-methoxyphenyl)ethanamine
CID 123395462
1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112658716
1-(3-chloro-4-methoxyphenyl)-N,N-dipropylethane-1,2-diamine
CID 65021962

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol (CID 83928505) is 3-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol is COc1ccc(C(CCO)N(C)C)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol?
The InChIKey is NMMQCPMQEAWQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-14(2)11(6-7-15)9-4-5-12(16-3)10(13)8-9/h4-5,8,11,15H,6-7H2,1-3H3.
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol?
3-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol has a molecular weight of 243.73 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol is sourced from PubChem (CID 83928505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).