3-amino-3-(3-methoxy-2-methylphenyl)propan-1-ol

C11H17NO2 — CID 83830990

IUPAC3-amino-3-(3-methoxy-2-methylphenyl)propan-1-ol
SMILESCOc1cccc(C(N)CCO)c1C
InChIInChI=1S/C11H17NO2/c1-8-9(10(12)6-7-13)4-3-5-11(8)14-2/h3-5,10,13H,6-7,12H2,1-2H3
InChIKeyVDGGUNQDZQTHRK-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.39
Rot. Bonds4

About 3-amino-3-(3-methoxy-2-methylphenyl)propan-1-ol

3-amino-3-(3-methoxy-2-methylphenyl)propan-1-ol (PubChem CID 83830990) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-amino-3-(3-methoxy-2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(3-methoxy-2-methylphenyl)propan-1-ol
PubChem CID83830990
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-amino-3-(3-methoxy-2-methylphenyl)propan-1-ol
SMILESCOc1cccc(C(N)CCO)c1C
InChIInChI=1S/C11H17NO2/c1-8-9(10(12)6-7-13)4-3-5-11(8)14-2/h3-5,10,13H,6-7,12H2,1-2H3
InChIKeyVDGGUNQDZQTHRK-UHFFFAOYSA-N
XLogP1.39
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-1-amino-3-hydroxypropyl]-6-methoxyphenol;hydrochloride
CID 171231919
(3R)-3-amino-3-(2,6-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171201207
(3S)-3-amino-3-(3-chloro-2-methylphenyl)propan-1-ol
CID 55272388
(3S)-3-amino-3-(2-propan-2-yloxyphenyl)propan-1-ol;hydrochloride
CID 171231573
3-[(1S)-1-amino-3-hydroxypropyl]-4-methoxyphenol
CID 55271938
3-(2-methoxyphenyl)pentane-1,5-diol
CID 51050570
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062
(1S)-1-(2-methoxyphenyl)propane-1,3-diamine
CID 171219974
(3S)-3-amino-3-(2,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 171219089
1-(2-amino-3-methoxyphenyl)propane-1,3-diol
CID 105450647
2-[(1R)-1-aminobutyl]-6-methoxyphenol
CID 171212277
3-amino-3-(2,3-dichloro-4-methoxyphenyl)propan-1-ol
CID 116937817

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-methoxy-2-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-3-(3-methoxy-2-methylphenyl)propan-1-ol (CID 83830990) is 3-amino-3-(3-methoxy-2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(3-methoxy-2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-3-(3-methoxy-2-methylphenyl)propan-1-ol is COc1cccc(C(N)CCO)c1C.
What is the InChIKey of 3-amino-3-(3-methoxy-2-methylphenyl)propan-1-ol?
The InChIKey is VDGGUNQDZQTHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8-9(10(12)6-7-13)4-3-5-11(8)14-2/h3-5,10,13H,6-7,12H2,1-2H3.
What are the key properties of 3-amino-3-(3-methoxy-2-methylphenyl)propan-1-ol?
3-amino-3-(3-methoxy-2-methylphenyl)propan-1-ol has a molecular weight of 195.26 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-methoxy-2-methylphenyl)propan-1-ol is sourced from PubChem (CID 83830990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).