1-(4-ethoxy-3,5-dimethoxyphenyl)butan-2-amine

C14H23NO3 — CID 60907779

IUPAC1-(4-ethoxy-3,5-dimethoxyphenyl)butan-2-amine
SMILESCCOc1c(OC)cc(CC(N)CC)cc1OC
InChIInChI=1S/C14H23NO3/c1-5-11(15)7-10-8-12(16-3)14(18-6-2)13(9-10)17-4/h8-9,11H,5-7,15H2,1-4H3
InChIKeyVNSIFZOVTOPSBN-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.38
Rot. Bonds7

About 1-(4-ethoxy-3,5-dimethoxyphenyl)butan-2-amine

1-(4-ethoxy-3,5-dimethoxyphenyl)butan-2-amine (PubChem CID 60907779) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(4-ethoxy-3,5-dimethoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(4-ethoxy-3,5-dimethoxyphenyl)butan-2-amine
PubChem CID60907779
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(4-ethoxy-3,5-dimethoxyphenyl)butan-2-amine
SMILESCCOc1c(OC)cc(CC(N)CC)cc1OC
InChIInChI=1S/C14H23NO3/c1-5-11(15)7-10-8-12(16-3)14(18-6-2)13(9-10)17-4/h8-9,11H,5-7,15H2,1-4H3
InChIKeyVNSIFZOVTOPSBN-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-bromoprop-2-enoxy)-3,5-dimethoxyphenyl]butan-2-amine
CID 60907286
4-(2-aminobutyl)-2-fluoro-6-methoxyphenol;hydrochloride
CID 170889186
1-(3,4,5-trimethoxyphenyl)pentan-2-amine
CID 3051170
5-(bromomethyl)-2-ethoxy-1,3-dimethoxybenzene
CID 43516810
1-(4-but-2-ynoxy-3-chloro-5-methoxyphenyl)butan-2-amine
CID 62311791
1-[3-bromo-5-methoxy-4-(2-methylprop-2-enoxy)phenyl]butan-2-amine
CID 54929434
4-[4-(2-aminobutyl)-2-chloro-6-methoxyphenoxy]butanenitrile
CID 60907678
1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine
CID 62103493
1-[3-bromo-5-methoxy-4-(2-methylsulfonylethoxy)phenyl]butan-2-amine
CID 60916224
1-(3-chloro-4-ethoxy-5-fluorophenyl)butan-2-amine
CID 170890061
1-(4-chloro-3-ethoxyphenyl)butan-2-amine
CID 118252081
1-(4-butoxy-3-methoxyphenyl)butan-2-amine
CID 54929034

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3,5-dimethoxyphenyl)butan-2-amine?
The IUPAC name of 1-(4-ethoxy-3,5-dimethoxyphenyl)butan-2-amine (CID 60907779) is 1-(4-ethoxy-3,5-dimethoxyphenyl)butan-2-amine.
What is the SMILES notation for 1-(4-ethoxy-3,5-dimethoxyphenyl)butan-2-amine?
The canonical SMILES for 1-(4-ethoxy-3,5-dimethoxyphenyl)butan-2-amine is CCOc1c(OC)cc(CC(N)CC)cc1OC.
What is the InChIKey of 1-(4-ethoxy-3,5-dimethoxyphenyl)butan-2-amine?
The InChIKey is VNSIFZOVTOPSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-5-11(15)7-10-8-12(16-3)14(18-6-2)13(9-10)17-4/h8-9,11H,5-7,15H2,1-4H3.
What are the key properties of 1-(4-ethoxy-3,5-dimethoxyphenyl)butan-2-amine?
1-(4-ethoxy-3,5-dimethoxyphenyl)butan-2-amine has a molecular weight of 253.34 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3,5-dimethoxyphenyl)butan-2-amine is sourced from PubChem (CID 60907779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).