3-amino-1-(3-chloro-4-methylphenyl)propane-1,2-diol

C10H14ClNO2 — CID 170827605

IUPAC3-amino-1-(3-chloro-4-methylphenyl)propane-1,2-diol
SMILESCc1ccc(C(O)C(O)CN)cc1Cl
InChIInChI=1S/C10H14ClNO2/c1-6-2-3-7(4-8(6)11)10(14)9(13)5-12/h2-4,9-10,13-14H,5,12H2,1H3
InChIKeyAJZOCXXELJQBKU-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.00
Rot. Bonds3

About 3-amino-1-(3-chloro-4-methylphenyl)propane-1,2-diol

3-amino-1-(3-chloro-4-methylphenyl)propane-1,2-diol (PubChem CID 170827605) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 3-amino-1-(3-chloro-4-methylphenyl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(3-chloro-4-methylphenyl)propane-1,2-diol
PubChem CID170827605
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name3-amino-1-(3-chloro-4-methylphenyl)propane-1,2-diol
SMILESCc1ccc(C(O)C(O)CN)cc1Cl
InChIInChI=1S/C10H14ClNO2/c1-6-2-3-7(4-8(6)11)10(14)9(13)5-12/h2-4,9-10,13-14H,5,12H2,1H3
InChIKeyAJZOCXXELJQBKU-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 65188783
3-amino-1-(3-methoxy-4-methylphenyl)propane-1,2-diol
CID 170827972
3-amino-2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)propan-1-ol
CID 65190424
N-[4-(3-chloro-4-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882590
3-amino-1-[4-chloro-3-(chloromethyl)phenyl]propane-1,2-diol
CID 170827885
1-(3-chloro-4-methylphenyl)-2-phenylbutan-1-ol
CID 107562241
2-[(3-chloro-4-methylphenyl)-fluoromethyl]-3-methylbutan-1-amine
CID 107561213
methyl 3-(3-chloro-4-methylphenyl)-2,3-dihydroxypropanoate
CID 171863615
2-amino-1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol
CID 106817793
2-chloro-2-(3-chloro-4-methylphenyl)-N,N-dimethylacetamide
CID 106818464
methyl 3-(3-chloro-4-methylphenyl)-3-hydroxy-2-methylpropanoate
CID 106818489
(1R,2S)-1-amino-1-(3-chloro-4-methylphenyl)pentan-2-ol;hydrochloride
CID 171262306

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-chloro-4-methylphenyl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(3-chloro-4-methylphenyl)propane-1,2-diol (CID 170827605) is 3-amino-1-(3-chloro-4-methylphenyl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(3-chloro-4-methylphenyl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(3-chloro-4-methylphenyl)propane-1,2-diol is Cc1ccc(C(O)C(O)CN)cc1Cl.
What is the InChIKey of 3-amino-1-(3-chloro-4-methylphenyl)propane-1,2-diol?
The InChIKey is AJZOCXXELJQBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-6-2-3-7(4-8(6)11)10(14)9(13)5-12/h2-4,9-10,13-14H,5,12H2,1H3.
What are the key properties of 3-amino-1-(3-chloro-4-methylphenyl)propane-1,2-diol?
3-amino-1-(3-chloro-4-methylphenyl)propane-1,2-diol has a molecular weight of 215.68 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-chloro-4-methylphenyl)propane-1,2-diol is sourced from PubChem (CID 170827605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).