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

C10H15NO2 — CID 75251632

IUPAC3-amino-2-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(CN)CO)cc1
InChIInChI=1S/C10H15NO2/c1-13-10-4-2-8(3-5-10)9(6-11)7-12/h2-5,9,12H,6-7,11H2,1H3
InChIKeyAIUMLVPEWKKZIZ-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.73
Rot. Bonds4

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

3-amino-2-(4-methoxyphenyl)propan-1-ol (PubChem CID 75251632) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-amino-2-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-methoxyphenyl)propan-1-ol
PubChem CID75251632
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-amino-2-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(CN)CO)cc1
InChIInChI=1S/C10H15NO2/c1-13-10-4-2-8(3-5-10)9(6-11)7-12/h2-5,9,12H,6-7,11H2,1H3
InChIKeyAIUMLVPEWKKZIZ-UHFFFAOYSA-N
XLogP0.73
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 46911827
2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608
(2S)-2-(4-methoxyphenyl)butan-1-amine
CID 15215732
2-(4-methoxyphenyl)-3-methylsulfanylpropan-1-amine
CID 117245021
[(2S)-3-hydroxy-2-(4-methoxyphenyl)propyl] acetate
CID 15668336
(2R)-3-amino-2-(3,4-dimethoxyphenyl)propan-1-ol
CID 95441222
2-(4-methoxyphenyl)pent-4-yn-1-amine
CID 84752978
3-amino-2-(4-aminophenyl)propan-1-ol
CID 131676348
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol
CID 46911819
2-[3-amino-2-(4-methoxyphenyl)propoxy]phenol
CID 117244895
2-(4-methoxyphenyl)-N',N'-dipropylpropane-1,3-diamine
CID 82107529

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(4-methoxyphenyl)propan-1-ol (CID 75251632) is 3-amino-2-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(4-methoxyphenyl)propan-1-ol is COc1ccc(C(CN)CO)cc1.
What is the InChIKey of 3-amino-2-(4-methoxyphenyl)propan-1-ol?
The InChIKey is AIUMLVPEWKKZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-13-10-4-2-8(3-5-10)9(6-11)7-12/h2-5,9,12H,6-7,11H2,1H3.
What are the key properties of 3-amino-2-(4-methoxyphenyl)propan-1-ol?
3-amino-2-(4-methoxyphenyl)propan-1-ol has a molecular weight of 181.23 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 75251632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).