3-amino-2-(2,5-dimethylphenyl)propan-1-ol

C11H17NO — CID 82280728

IUPAC3-amino-2-(2,5-dimethylphenyl)propan-1-ol
SMILESCc1ccc(C)c(C(CN)CO)c1
InChIInChI=1S/C11H17NO/c1-8-3-4-9(2)11(5-8)10(6-12)7-13/h3-5,10,13H,6-7,12H2,1-2H3
InChIKeyFVLNUALYPWLCKT-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.34
Rot. Bonds3

About 3-amino-2-(2,5-dimethylphenyl)propan-1-ol

3-amino-2-(2,5-dimethylphenyl)propan-1-ol (PubChem CID 82280728) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-amino-2-(2,5-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2,5-dimethylphenyl)propan-1-ol
PubChem CID82280728
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-amino-2-(2,5-dimethylphenyl)propan-1-ol
SMILESCc1ccc(C)c(C(CN)CO)c1
InChIInChI=1S/C11H17NO/c1-8-3-4-9(2)11(5-8)10(6-12)7-13/h3-5,10,13H,6-7,12H2,1-2H3
InChIKeyFVLNUALYPWLCKT-UHFFFAOYSA-N
XLogP1.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 82077390
2-(2,5-dimethylphenyl)-6-phenylhexan-1-amine
CID 19597880
3-amino-2-(3-methylphenyl)propan-1-ol
CID 46911824
(2S)-2-(2,5-dimethylphenyl)-2-(methylamino)ethanol
CID 55276234
(2S)-3-amino-2-(3-methylphenyl)propan-1-ol
CID 86327369
1-(2,5-dimethylphenyl)propane-1,3-diamine
CID 116932732
ethyl 2-(2,5-dimethylphenyl)-3-hydroxypropanoate
CID 45097761
(4R)-4-amino-4-(2,5-dimethylphenyl)butan-1-ol
CID 55265559
3-amino-2-(2,5-dimethylphenyl)propanenitrile
CID 82503364
3-amino-2-(2-methoxy-4,5-dimethylphenyl)propan-1-ol
CID 82283929
2-(aminomethyl)-3-(2,5-dimethylphenyl)butanoic acid
CID 69267265
1-(2,5-dimethylphenyl)butane-1,3-diamine
CID 116933200

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,5-dimethylphenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(2,5-dimethylphenyl)propan-1-ol (CID 82280728) is 3-amino-2-(2,5-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2,5-dimethylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2,5-dimethylphenyl)propan-1-ol is Cc1ccc(C)c(C(CN)CO)c1.
What is the InChIKey of 3-amino-2-(2,5-dimethylphenyl)propan-1-ol?
The InChIKey is FVLNUALYPWLCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-3-4-9(2)11(5-8)10(6-12)7-13/h3-5,10,13H,6-7,12H2,1-2H3.
What are the key properties of 3-amino-2-(2,5-dimethylphenyl)propan-1-ol?
3-amino-2-(2,5-dimethylphenyl)propan-1-ol has a molecular weight of 179.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,5-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 82280728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).