3-(2,3-dimethoxyphenoxy)butan-1-amine

C12H19NO3 — CID 112508081

IUPAC3-(2,3-dimethoxyphenoxy)butan-1-amine
SMILESCOc1cccc(OC(C)CCN)c1OC
InChIInChI=1S/C12H19NO3/c1-9(7-8-13)16-11-6-4-5-10(14-2)12(11)15-3/h4-6,9H,7-8,13H2,1-3H3
InChIKeyXYWUUFXAVMXRAL-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.82
Rot. Bonds6

About 3-(2,3-dimethoxyphenoxy)butan-1-amine

3-(2,3-dimethoxyphenoxy)butan-1-amine (PubChem CID 112508081) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenoxy)butan-1-amine.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenoxy)butan-1-amine
PubChem CID112508081
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name3-(2,3-dimethoxyphenoxy)butan-1-amine
SMILESCOc1cccc(OC(C)CCN)c1OC
InChIInChI=1S/C12H19NO3/c1-9(7-8-13)16-11-6-4-5-10(14-2)12(11)15-3/h4-6,9H,7-8,13H2,1-3H3
InChIKeyXYWUUFXAVMXRAL-UHFFFAOYSA-N
XLogP1.82
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxyphenoxy)pentan-1-amine
CID 62460101
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
(2,3-dimethoxyphenyl) 3-aminopropanoate
CID 94259654
(3-methoxy-2-pentan-2-yloxyphenyl)methanol
CID 107892192
2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 3029784
(2-butan-2-yloxy-3-methoxyphenyl)methanamine
CID 43471450
1-chloro-3-(2,3-dimethoxyphenoxy)butan-2-one
CID 112501721
2-(2,3-dimethoxyphenoxy)propanoyl chloride
CID 82041771
2-methoxy-6-octan-2-yloxyaniline
CID 113392822
3-(2,6-dimethoxyphenoxy)propan-1-amine
CID 14025832
(1S)-1-(2-methoxyphenyl)propane-1,3-diamine
CID 171219974
2-amino-3-(2,3-dimethoxyphenoxy)propan-1-ol
CID 112512175

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenoxy)butan-1-amine?
The IUPAC name of 3-(2,3-dimethoxyphenoxy)butan-1-amine (CID 112508081) is 3-(2,3-dimethoxyphenoxy)butan-1-amine.
What is the SMILES notation for 3-(2,3-dimethoxyphenoxy)butan-1-amine?
The canonical SMILES for 3-(2,3-dimethoxyphenoxy)butan-1-amine is COc1cccc(OC(C)CCN)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenoxy)butan-1-amine?
The InChIKey is XYWUUFXAVMXRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9(7-8-13)16-11-6-4-5-10(14-2)12(11)15-3/h4-6,9H,7-8,13H2,1-3H3.
What are the key properties of 3-(2,3-dimethoxyphenoxy)butan-1-amine?
3-(2,3-dimethoxyphenoxy)butan-1-amine has a molecular weight of 225.29 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenoxy)butan-1-amine is sourced from PubChem (CID 112508081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).