4-ethoxy-2-[(3-methoxyphenyl)methyl]butan-1-amine

C14H23NO2 — CID 62529202

IUPAC4-ethoxy-2-[(3-methoxyphenyl)methyl]butan-1-amine
SMILESCCOCCC(CN)Cc1cccc(OC)c1
InChIInChI=1S/C14H23NO2/c1-3-17-8-7-13(11-15)9-12-5-4-6-14(10-12)16-2/h4-6,10,13H,3,7-9,11,15H2,1-2H3
InChIKeyJLTKYEAQQJSDHI-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.24
Rot. Bonds8

About 4-ethoxy-2-[(3-methoxyphenyl)methyl]butan-1-amine

4-ethoxy-2-[(3-methoxyphenyl)methyl]butan-1-amine (PubChem CID 62529202) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-ethoxy-2-[(3-methoxyphenyl)methyl]butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-2-[(3-methoxyphenyl)methyl]butan-1-amine
PubChem CID62529202
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-ethoxy-2-[(3-methoxyphenyl)methyl]butan-1-amine
SMILESCCOCCC(CN)Cc1cccc(OC)c1
InChIInChI=1S/C14H23NO2/c1-3-17-8-7-13(11-15)9-12-5-4-6-14(10-12)16-2/h4-6,10,13H,3,7-9,11,15H2,1-2H3
InChIKeyJLTKYEAQQJSDHI-UHFFFAOYSA-N
XLogP2.24
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.24
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-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 55210216
[4-ethoxy-1-(3-methoxyphenyl)butan-2-yl]hydrazine
CID 105295390
2-[(3-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62530806
2-[(3-methoxyphenyl)methyl]-4-methylsulfonylbutan-1-amine
CID 62529808
2-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 62503999
5-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]pentan-1-amine
CID 65180749
1-[2-(chloromethyl)-4-methoxybutyl]-3-methoxybenzene
CID 66050110
2-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 62529007
2-benzyl-5-ethoxypentan-1-amine
CID 65180415
4-methoxy-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62529986
2-[(3-bromophenyl)methyl]-4-[2-(2-methoxyethoxy)ethoxy]butan-1-amine
CID 104566257
2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methoxyphenyl)propan-1-amine
CID 104810378

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-[(3-methoxyphenyl)methyl]butan-1-amine?
The IUPAC name of 4-ethoxy-2-[(3-methoxyphenyl)methyl]butan-1-amine (CID 62529202) is 4-ethoxy-2-[(3-methoxyphenyl)methyl]butan-1-amine.
What is the SMILES notation for 4-ethoxy-2-[(3-methoxyphenyl)methyl]butan-1-amine?
The canonical SMILES for 4-ethoxy-2-[(3-methoxyphenyl)methyl]butan-1-amine is CCOCCC(CN)Cc1cccc(OC)c1.
What is the InChIKey of 4-ethoxy-2-[(3-methoxyphenyl)methyl]butan-1-amine?
The InChIKey is JLTKYEAQQJSDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-17-8-7-13(11-15)9-12-5-4-6-14(10-12)16-2/h4-6,10,13H,3,7-9,11,15H2,1-2H3.
What are the key properties of 4-ethoxy-2-[(3-methoxyphenyl)methyl]butan-1-amine?
4-ethoxy-2-[(3-methoxyphenyl)methyl]butan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-[(3-methoxyphenyl)methyl]butan-1-amine is sourced from PubChem (CID 62529202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).