2-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol

C12H19NO2 — CID 82395059

IUPAC2-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol
SMILESCOc1c(C)cc(C(O)C(C)N)cc1C
InChIInChI=1S/C12H19NO2/c1-7-5-10(11(14)9(3)13)6-8(2)12(7)15-4/h5-6,9,11,14H,13H2,1-4H3
InChIKeyQPSDQHMBPBFHEC-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.69
Rot. Bonds3

About 2-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol

2-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol (PubChem CID 82395059) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol
PubChem CID82395059
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol
SMILESCOc1c(C)cc(C(O)C(C)N)cc1C
InChIInChI=1S/C12H19NO2/c1-7-5-10(11(14)9(3)13)6-8(2)12(7)15-4/h5-6,9,11,14H,13H2,1-4H3
InChIKeyQPSDQHMBPBFHEC-UHFFFAOYSA-N
XLogP1.69
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 75069436
3,3,3-trifluoro-1-(4-methoxy-3,5-dimethylphenyl)-2-(trifluoromethyl)propan-1-ol
CID 103310612
ethyl 2,3-dihydroxy-3-(4-methoxy-3,5-dimethylphenyl)propanoate
CID 171866441
(4S)-4-amino-4-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 171231269
(3,5-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 83068712
(1R)-1-(4-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171211631
(1R)-3-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 96774274
(1R)-1-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-amine
CID 55274807
(1R)-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine;hydrochloride
CID 171211620
(1-aminocyclopropyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 116836231
2-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine
CID 83154112
4-(2-amino-1-hydroxypropyl)-2-methylphenol;hydrochloride
CID 131882584

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol?
The IUPAC name of 2-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol (CID 82395059) is 2-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol?
The canonical SMILES for 2-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol is COc1c(C)cc(C(O)C(C)N)cc1C.
What is the InChIKey of 2-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol?
The InChIKey is QPSDQHMBPBFHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-7-5-10(11(14)9(3)13)6-8(2)12(7)15-4/h5-6,9,11,14H,13H2,1-4H3.
What are the key properties of 2-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol?
2-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 82395059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).