3-[(3-methoxyphenyl)methylamino]butan-1-ol

C12H19NO2 — CID 78998469

IUPAC3-[(3-methoxyphenyl)methylamino]butan-1-ol
SMILESCOc1cccc(CNC(C)CCO)c1
InChIInChI=1S/C12H19NO2/c1-10(6-7-14)13-9-11-4-3-5-12(8-11)15-2/h3-5,8,10,13-14H,6-7,9H2,1-2H3
InChIKeyIEKNCVUKEFSPMI-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.56
Rot. Bonds6

About 3-[(3-methoxyphenyl)methylamino]butan-1-ol

3-[(3-methoxyphenyl)methylamino]butan-1-ol (PubChem CID 78998469) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methylamino]butan-1-ol
PubChem CID78998469
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-[(3-methoxyphenyl)methylamino]butan-1-ol
SMILESCOc1cccc(CNC(C)CCO)c1
InChIInChI=1S/C12H19NO2/c1-10(6-7-14)13-9-11-4-3-5-12(8-11)15-2/h3-5,8,10,13-14H,6-7,9H2,1-2H3
InChIKeyIEKNCVUKEFSPMI-UHFFFAOYSA-N
XLogP1.56
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methoxyphenyl)methylamino]propan-1-ol
CID 43499761
1-chloro-N-[(3-methoxyphenyl)methyl]propan-2-amine
CID 65025454
(2S)-1-methoxy-N-[(3-methoxyphenyl)methyl]propan-2-amine
CID 781281
3-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 113357124
N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 81049875
3-[(3-methylphenyl)methylamino]butan-1-ol
CID 78997783
3-[(3-fluorophenyl)methylamino]butan-1-ol
CID 78997881
(3R)-3-[(3-bromophenyl)methylamino]butan-1-ol
CID 103854762
1-N-tert-butyl-2-N-[(3-methoxyphenyl)methyl]propane-1,2-diamine
CID 113407506
1-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 103878320
3-fluoro-4-[1-[(3-methoxyphenyl)methylamino]ethyl]phenol
CID 107714930
(2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol
CID 114985581

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methylamino]butan-1-ol?
The IUPAC name of 3-[(3-methoxyphenyl)methylamino]butan-1-ol (CID 78998469) is 3-[(3-methoxyphenyl)methylamino]butan-1-ol.
What is the SMILES notation for 3-[(3-methoxyphenyl)methylamino]butan-1-ol?
The canonical SMILES for 3-[(3-methoxyphenyl)methylamino]butan-1-ol is COc1cccc(CNC(C)CCO)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methylamino]butan-1-ol?
The InChIKey is IEKNCVUKEFSPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10(6-7-14)13-9-11-4-3-5-12(8-11)15-2/h3-5,8,10,13-14H,6-7,9H2,1-2H3.
What are the key properties of 3-[(3-methoxyphenyl)methylamino]butan-1-ol?
3-[(3-methoxyphenyl)methylamino]butan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 78998469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).