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

C14H23NO2 — CID 117347670

IUPAC4-(2-ethyl-3,4-dimethoxyphenyl)butan-1-amine
SMILESCCc1c(CCCCN)ccc(OC)c1OC
InChIInChI=1S/C14H23NO2/c1-4-12-11(7-5-6-10-15)8-9-13(16-2)14(12)17-3/h8-9H,4-7,10,15H2,1-3H3
InChIKeyCTARHTGCOKULLR-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.55
Rot. Bonds7

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

4-(2-ethyl-3,4-dimethoxyphenyl)butan-1-amine (PubChem CID 117347670) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-(2-ethyl-3,4-dimethoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name4-(2-ethyl-3,4-dimethoxyphenyl)butan-1-amine
PubChem CID117347670
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-(2-ethyl-3,4-dimethoxyphenyl)butan-1-amine
SMILESCCc1c(CCCCN)ccc(OC)c1OC
InChIInChI=1S/C14H23NO2/c1-4-12-11(7-5-6-10-15)8-9-13(16-2)14(12)17-3/h8-9H,4-7,10,15H2,1-3H3
InChIKeyCTARHTGCOKULLR-UHFFFAOYSA-N
XLogP2.55
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(6-fluoro-2,3-dimethoxyphenyl)butan-1-amine
CID 117327075
N,N'-bis[2-(2-ethyl-3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine;dihydrochloride
CID 14346571
1-(2-ethyl-3,4-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117347553
3-(6-fluoro-2,3-dimethoxyphenyl)propan-1-amine
CID 117304223
4-(2-ethyl-3,5-dimethoxyphenyl)butan-1-amine
CID 117347671
3-(6-chloro-2,3-dimethoxyphenyl)propan-1-amine
CID 117331594
2-(2-ethyl-3,4-dimethoxyphenyl)acetonitrile
CID 14346520
N-[2-(2-ethyl-3,4-dimethoxyphenyl)ethyl]-3-[3-[2-(2-ethyl-3,4-dimethoxyphenyl)ethylamino]propylsulfanyl]propan-1-amine;dihydrochloride
CID 14346563
(E)-N,N'-bis[2-(2-ethyl-3,4-dimethoxyphenyl)ethyl]hex-3-ene-1,6-diamine;dihydrochloride
CID 14346577
N-[2-(4-aminophenyl)ethyl]-N'-[2-(2-ethyl-3,4-dimethoxyphenyl)ethyl]hexane-1,6-diamine;trihydrochloride
CID 19830354
4-(4-fluoro-2-methoxyphenyl)butan-1-amine
CID 117287200
3-(4-ethyl-2-methoxyphenyl)propan-1-amine
CID 83878516

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-3,4-dimethoxyphenyl)butan-1-amine?
The IUPAC name of 4-(2-ethyl-3,4-dimethoxyphenyl)butan-1-amine (CID 117347670) is 4-(2-ethyl-3,4-dimethoxyphenyl)butan-1-amine.
What is the SMILES notation for 4-(2-ethyl-3,4-dimethoxyphenyl)butan-1-amine?
The canonical SMILES for 4-(2-ethyl-3,4-dimethoxyphenyl)butan-1-amine is CCc1c(CCCCN)ccc(OC)c1OC.
What is the InChIKey of 4-(2-ethyl-3,4-dimethoxyphenyl)butan-1-amine?
The InChIKey is CTARHTGCOKULLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-12-11(7-5-6-10-15)8-9-13(16-2)14(12)17-3/h8-9H,4-7,10,15H2,1-3H3.
What are the key properties of 4-(2-ethyl-3,4-dimethoxyphenyl)butan-1-amine?
4-(2-ethyl-3,4-dimethoxyphenyl)butan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-3,4-dimethoxyphenyl)butan-1-amine is sourced from PubChem (CID 117347670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).