3-(3-amino-1-hydroxypropyl)-2-chloro-6-methylphenol

C10H14ClNO2 — CID 83835781

IUPAC3-(3-amino-1-hydroxypropyl)-2-chloro-6-methylphenol
SMILESCc1ccc(C(O)CCN)c(Cl)c1O
InChIInChI=1S/C10H14ClNO2/c1-6-2-3-7(8(13)4-5-12)9(11)10(6)14/h2-3,8,13-14H,4-5,12H2,1H3
InChIKeyFRSDIDDKWYGWRV-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.74
Rot. Bonds3

About 3-(3-amino-1-hydroxypropyl)-2-chloro-6-methylphenol

3-(3-amino-1-hydroxypropyl)-2-chloro-6-methylphenol (PubChem CID 83835781) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 3-(3-amino-1-hydroxypropyl)-2-chloro-6-methylphenol.

Molecular Properties

Compound Name3-(3-amino-1-hydroxypropyl)-2-chloro-6-methylphenol
PubChem CID83835781
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name3-(3-amino-1-hydroxypropyl)-2-chloro-6-methylphenol
SMILESCc1ccc(C(O)CCN)c(Cl)c1O
InChIInChI=1S/C10H14ClNO2/c1-6-2-3-7(8(13)4-5-12)9(11)10(6)14/h2-3,8,13-14H,4-5,12H2,1H3
InChIKeyFRSDIDDKWYGWRV-UHFFFAOYSA-N
XLogP1.74
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-amino-1-hydroxypropyl)-2-chloro-3,6-dimethylphenol
CID 84793357
3-amino-1-(2-chloro-3,4-dimethoxyphenyl)propan-1-ol
CID 79138086
(1R)-3-amino-1-(2,4-dimethylphenyl)propan-1-ol
CID 93182212
2-[(1R)-3-amino-1-hydroxypropyl]-5-methylphenol
CID 96744848
3-amino-1-(2-amino-4-chlorophenyl)propan-1-ol
CID 105453264
3-amino-1-(5-tert-butyl-2-methylphenyl)propan-1-ol
CID 82048901
4-[(1S)-3-amino-1-hydroxypropyl]-2,6-dimethylphenol
CID 96682617
6-(3-amino-1-hydroxypropyl)-3-fluoro-2-methoxyphenol
CID 84680912
2-chloro-3,6-dimethylphenol;ethane
CID 144511181
3-amino-1-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-ol
CID 84704189
2-(2-amino-1-hydroxyethyl)-6-methyl-3-propan-2-ylphenol
CID 84677143
4-amino-1-(2,3-dichlorophenyl)butan-1-ol
CID 54426127

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1-hydroxypropyl)-2-chloro-6-methylphenol?
The IUPAC name of 3-(3-amino-1-hydroxypropyl)-2-chloro-6-methylphenol (CID 83835781) is 3-(3-amino-1-hydroxypropyl)-2-chloro-6-methylphenol.
What is the SMILES notation for 3-(3-amino-1-hydroxypropyl)-2-chloro-6-methylphenol?
The canonical SMILES for 3-(3-amino-1-hydroxypropyl)-2-chloro-6-methylphenol is Cc1ccc(C(O)CCN)c(Cl)c1O.
What is the InChIKey of 3-(3-amino-1-hydroxypropyl)-2-chloro-6-methylphenol?
The InChIKey is FRSDIDDKWYGWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-6-2-3-7(8(13)4-5-12)9(11)10(6)14/h2-3,8,13-14H,4-5,12H2,1H3.
What are the key properties of 3-(3-amino-1-hydroxypropyl)-2-chloro-6-methylphenol?
3-(3-amino-1-hydroxypropyl)-2-chloro-6-methylphenol has a molecular weight of 215.68 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1-hydroxypropyl)-2-chloro-6-methylphenol is sourced from PubChem (CID 83835781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).