2-[(3-methoxyphenyl)methylamino]propan-1-ol

C11H17NO2 — CID 43499761

IUPAC2-[(3-methoxyphenyl)methylamino]propan-1-ol
SMILESCOc1cccc(CNC(C)CO)c1
InChIInChI=1S/C11H17NO2/c1-9(8-13)12-7-10-4-3-5-11(6-10)14-2/h3-6,9,12-13H,7-8H2,1-2H3
InChIKeyFDWSHNFLDAKGLN-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.17
Rot. Bonds5

About 2-[(3-methoxyphenyl)methylamino]propan-1-ol

2-[(3-methoxyphenyl)methylamino]propan-1-ol (PubChem CID 43499761) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methylamino]propan-1-ol
PubChem CID43499761
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-[(3-methoxyphenyl)methylamino]propan-1-ol
SMILESCOc1cccc(CNC(C)CO)c1
InChIInChI=1S/C11H17NO2/c1-9(8-13)12-7-10-4-3-5-11(6-10)14-2/h3-6,9,12-13H,7-8H2,1-2H3
InChIKeyFDWSHNFLDAKGLN-UHFFFAOYSA-N
XLogP1.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methoxyphenyl)methylamino]butan-1-ol
CID 78998469
(2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol
CID 114985581
1-chloro-N-[(3-methoxyphenyl)methyl]propan-2-amine
CID 65025454
(2S)-1-methoxy-N-[(3-methoxyphenyl)methyl]propan-2-amine
CID 781281
(2R)-2-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol
CID 114986461
1-N-tert-butyl-2-N-[(3-methoxyphenyl)methyl]propane-1,2-diamine
CID 113407506
methyl 2-[(3-methoxyphenyl)methylamino]-3-methylbutanoate
CID 60690958
(2R)-2-[(3,4-dimethoxyphenyl)methylamino]propan-1-ol
CID 114985562
N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43221152
(1R)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81392096
(1S)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81390552
[3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol
CID 103781729

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methylamino]propan-1-ol?
The IUPAC name of 2-[(3-methoxyphenyl)methylamino]propan-1-ol (CID 43499761) is 2-[(3-methoxyphenyl)methylamino]propan-1-ol.
What is the SMILES notation for 2-[(3-methoxyphenyl)methylamino]propan-1-ol?
The canonical SMILES for 2-[(3-methoxyphenyl)methylamino]propan-1-ol is COc1cccc(CNC(C)CO)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methylamino]propan-1-ol?
The InChIKey is FDWSHNFLDAKGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9(8-13)12-7-10-4-3-5-11(6-10)14-2/h3-6,9,12-13H,7-8H2,1-2H3.
What are the key properties of 2-[(3-methoxyphenyl)methylamino]propan-1-ol?
2-[(3-methoxyphenyl)methylamino]propan-1-ol has a molecular weight of 195.26 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 43499761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).