3-(2-ethoxy-3,4-dimethoxyphenyl)butan-1-amine

C14H23NO3 — CID 117386607

IUPAC3-(2-ethoxy-3,4-dimethoxyphenyl)butan-1-amine
SMILESCCOc1c(C(C)CCN)ccc(OC)c1OC
InChIInChI=1S/C14H23NO3/c1-5-18-13-11(10(2)8-9-15)6-7-12(16-3)14(13)17-4/h6-7,10H,5,8-9,15H2,1-4H3
InChIKeyYXSXVPMYZMQTEM-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.55
Rot. Bonds7

About 3-(2-ethoxy-3,4-dimethoxyphenyl)butan-1-amine

3-(2-ethoxy-3,4-dimethoxyphenyl)butan-1-amine (PubChem CID 117386607) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-(2-ethoxy-3,4-dimethoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name3-(2-ethoxy-3,4-dimethoxyphenyl)butan-1-amine
PubChem CID117386607
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-(2-ethoxy-3,4-dimethoxyphenyl)butan-1-amine
SMILESCCOc1c(C(C)CCN)ccc(OC)c1OC
InChIInChI=1S/C14H23NO3/c1-5-18-13-11(10(2)8-9-15)6-7-12(16-3)14(13)17-4/h6-7,10H,5,8-9,15H2,1-4H3
InChIKeyYXSXVPMYZMQTEM-UHFFFAOYSA-N
XLogP2.55
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine
CID 117351336
4-(2,3,4-trimethoxyphenyl)pentanenitrile
CID 83934096
(1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 97051483
3-(3-ethoxy-4-methoxyphenyl)butan-1-amine
CID 116989291
3-(2-ethoxy-6-methoxyphenyl)butan-1-amine
CID 117320562
3-(2-chloro-3-methoxy-4-methylphenyl)butan-1-amine
CID 117328027
(1R)-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine
CID 171199872
3-(3-fluoro-2,6-dimethoxyphenyl)butan-1-amine
CID 117327116
(1S)-1-(2,3,4-trimethoxyphenyl)hexan-1-amine;hydrochloride
CID 171219374
3-[2,3-dimethoxy-4-(trifluoromethyl)phenyl]butan-1-amine
CID 117444021
3-[2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-1-amine
CID 117377475
3-(5-bromo-2-ethoxy-4-methoxyphenyl)butan-1-amine
CID 117486791

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-3,4-dimethoxyphenyl)butan-1-amine?
The IUPAC name of 3-(2-ethoxy-3,4-dimethoxyphenyl)butan-1-amine (CID 117386607) is 3-(2-ethoxy-3,4-dimethoxyphenyl)butan-1-amine.
What is the SMILES notation for 3-(2-ethoxy-3,4-dimethoxyphenyl)butan-1-amine?
The canonical SMILES for 3-(2-ethoxy-3,4-dimethoxyphenyl)butan-1-amine is CCOc1c(C(C)CCN)ccc(OC)c1OC.
What is the InChIKey of 3-(2-ethoxy-3,4-dimethoxyphenyl)butan-1-amine?
The InChIKey is YXSXVPMYZMQTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-5-18-13-11(10(2)8-9-15)6-7-12(16-3)14(13)17-4/h6-7,10H,5,8-9,15H2,1-4H3.
What are the key properties of 3-(2-ethoxy-3,4-dimethoxyphenyl)butan-1-amine?
3-(2-ethoxy-3,4-dimethoxyphenyl)butan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-3,4-dimethoxyphenyl)butan-1-amine is sourced from PubChem (CID 117386607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).