3-amino-1-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-ol

C12H18ClNO2 — CID 84704189

IUPAC3-amino-1-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-ol
SMILESCOc1c(Cl)c(C)cc(C)c1C(O)CCN
InChIInChI=1S/C12H18ClNO2/c1-7-6-8(2)11(13)12(16-3)10(7)9(15)4-5-14/h6,9,15H,4-5,14H2,1-3H3
InChIKeyOSQXWSWKLPYLSV-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.35
Rot. Bonds4

About 3-amino-1-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-ol

3-amino-1-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-ol (PubChem CID 84704189) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 3-amino-1-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-ol
PubChem CID84704189
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name3-amino-1-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-ol
SMILESCOc1c(Cl)c(C)cc(C)c1C(O)CCN
InChIInChI=1S/C12H18ClNO2/c1-7-6-8(2)11(13)12(16-3)10(7)9(15)4-5-14/h6,9,15H,4-5,14H2,1-3H3
InChIKeyOSQXWSWKLPYLSV-UHFFFAOYSA-N
XLogP2.35
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-3-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 96774274
2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)ethanol
CID 116863607
1-(2-methoxy-3,4,6-trimethylphenyl)butane-1,4-diol
CID 116861375
3-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-amine
CID 117328034
3-amino-1-(2-chloro-3,4-dimethoxyphenyl)propan-1-ol
CID 79138086
1-(3-chloro-6-methoxy-2,4-dimethylphenyl)propane-1,3-diol
CID 82294523
3-amino-1-(3-bromo-4-methoxy-2,5-dimethylphenyl)propan-1-ol
CID 84814417
5-(3-amino-1-hydroxypropyl)-2-chloro-3,6-dimethylphenol
CID 84793357
2-amino-1-(3-chloro-4-methoxy-2,6-dimethylphenyl)ethanol
CID 84693134
1-(2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylpropane-1,3-diamine
CID 116904598
3-(3-amino-1-hydroxypropyl)-2-chloro-6-methylphenol
CID 83835781
3-(2-amino-1-hydroxyethyl)-4-chloro-5-fluoro-2-methoxyphenol
CID 117343843

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-ol (CID 84704189) is 3-amino-1-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-ol is COc1c(Cl)c(C)cc(C)c1C(O)CCN.
What is the InChIKey of 3-amino-1-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-ol?
The InChIKey is OSQXWSWKLPYLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-7-6-8(2)11(13)12(16-3)10(7)9(15)4-5-14/h6,9,15H,4-5,14H2,1-3H3.
What are the key properties of 3-amino-1-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-ol?
3-amino-1-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-ol has a molecular weight of 243.73 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 84704189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).