3-amino-3-(2,3-dichloro-4-methoxyphenyl)propan-1-ol

C10H13Cl2NO2 — CID 116937817

IUPAC3-amino-3-(2,3-dichloro-4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(N)CCO)c(Cl)c1Cl
InChIInChI=1S/C10H13Cl2NO2/c1-15-8-3-2-6(7(13)4-5-14)9(11)10(8)12/h2-3,7,14H,4-5,13H2,1H3
InChIKeyBSIQWDUUFNPJKD-UHFFFAOYSA-N
MW250.12 g/mol
LogP2.38
Rot. Bonds4

About 3-amino-3-(2,3-dichloro-4-methoxyphenyl)propan-1-ol

3-amino-3-(2,3-dichloro-4-methoxyphenyl)propan-1-ol (PubChem CID 116937817) has the molecular formula C10H13Cl2NO2 and a molecular weight of 250.12 g/mol. Its IUPAC name is 3-amino-3-(2,3-dichloro-4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(2,3-dichloro-4-methoxyphenyl)propan-1-ol
PubChem CID116937817
Molecular FormulaC10H13Cl2NO2
Molecular Weight250.12 g/mol
Exact Mass249.03
IUPAC Name3-amino-3-(2,3-dichloro-4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(N)CCO)c(Cl)c1Cl
InChIInChI=1S/C10H13Cl2NO2/c1-15-8-3-2-6(7(13)4-5-14)9(11)10(8)12/h2-3,7,14H,4-5,13H2,1H3
InChIKeyBSIQWDUUFNPJKD-UHFFFAOYSA-N
XLogP2.38
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dichloro-4-methoxyphenyl)propane-1,3-diamine
CID 116932842
3-(1-amino-3-hydroxypropyl)-2-chloro-6-methoxyphenol;hydrochloride
CID 170874866
3-amino-3-(2,3-dichloro-4-methoxyphenyl)propane-1-thiol
CID 116831304
1-(2,3-dichloro-4-methoxyphenyl)-2-methylsulfanylethanamine
CID 116830340
3-amino-3-(3-chloro-4-fluoro-2-methoxyphenyl)propan-1-ol
CID 84697218
3-[(1S)-1-amino-3-hydroxypropyl]-4-methoxyphenol
CID 55271938
3-amino-3-(2-chloro-4-methoxyphenyl)propan-1-ol
CID 82284820
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 171221538
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)pentane-1,5-diamine;hydrochloride
CID 171221531
(3R)-3-amino-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171214010
2-[(1R)-1-amino-3-hydroxypropyl]-6-chloro-3-methoxyphenol
CID 171257518
(3S)-3-amino-3-(2,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 171219089

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2,3-dichloro-4-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-amino-3-(2,3-dichloro-4-methoxyphenyl)propan-1-ol (CID 116937817) is 3-amino-3-(2,3-dichloro-4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(2,3-dichloro-4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-amino-3-(2,3-dichloro-4-methoxyphenyl)propan-1-ol is COc1ccc(C(N)CCO)c(Cl)c1Cl.
What is the InChIKey of 3-amino-3-(2,3-dichloro-4-methoxyphenyl)propan-1-ol?
The InChIKey is BSIQWDUUFNPJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO2/c1-15-8-3-2-6(7(13)4-5-14)9(11)10(8)12/h2-3,7,14H,4-5,13H2,1H3.
What are the key properties of 3-amino-3-(2,3-dichloro-4-methoxyphenyl)propan-1-ol?
3-amino-3-(2,3-dichloro-4-methoxyphenyl)propan-1-ol has a molecular weight of 250.12 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2,3-dichloro-4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 116937817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).