4-methoxy-N-[2-(3-methoxyphenyl)ethyl]butan-1-amine

C14H23NO2 — CID 114009157

IUPAC4-methoxy-N-[2-(3-methoxyphenyl)ethyl]butan-1-amine
SMILESCOCCCCNCCc1cccc(OC)c1
InChIInChI=1S/C14H23NO2/c1-16-11-4-3-9-15-10-8-13-6-5-7-14(12-13)17-2/h5-7,12,15H,3-4,8-11H2,1-2H3
InChIKeyIYVVNMTXMIVFRW-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.25
Rot. Bonds9

About 4-methoxy-N-[2-(3-methoxyphenyl)ethyl]butan-1-amine

4-methoxy-N-[2-(3-methoxyphenyl)ethyl]butan-1-amine (PubChem CID 114009157) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-methoxy-N-[2-(3-methoxyphenyl)ethyl]butan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-[2-(3-methoxyphenyl)ethyl]butan-1-amine
PubChem CID114009157
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-methoxy-N-[2-(3-methoxyphenyl)ethyl]butan-1-amine
SMILESCOCCCCNCCc1cccc(OC)c1
InChIInChI=1S/C14H23NO2/c1-16-11-4-3-9-15-10-8-13-6-5-7-14(12-13)17-2/h5-7,12,15H,3-4,8-11H2,1-2H3
InChIKeyIYVVNMTXMIVFRW-UHFFFAOYSA-N
XLogP2.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.25
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

N'-[2-(3-methoxyphenyl)ethyl]-N-propylpropane-1,3-diamine
CID 113410220
3-chloro-N-[2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 115215888
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]butan-1-amine
CID 65447103
N-(2-methoxyethyl)-4-(3-methoxyphenoxy)butan-1-amine
CID 62572887
N-(4-methoxybutyl)-3-(3-methoxyphenyl)propanamide
CID 110418006
N-[2-(3-methoxyphenyl)ethyl]but-3-yn-1-amine
CID 103846287
2-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]ethanamine
CID 107852145
2-(3-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
CID 107852103
N-[2-[2-(3-methoxyphenyl)ethylamino]ethyl]acetamide
CID 107852146
N'-[2-[3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]-N-[2-(3-methoxyphenyl)ethyl]hexane-1,6-diamine
CID 23044051
N-(2-methoxyethyl)-3-(3-methoxyphenoxy)propan-1-amine
CID 62573044
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(3-methoxyphenyl)ethyl]butan-1-amine?
The IUPAC name of 4-methoxy-N-[2-(3-methoxyphenyl)ethyl]butan-1-amine (CID 114009157) is 4-methoxy-N-[2-(3-methoxyphenyl)ethyl]butan-1-amine.
What is the SMILES notation for 4-methoxy-N-[2-(3-methoxyphenyl)ethyl]butan-1-amine?
The canonical SMILES for 4-methoxy-N-[2-(3-methoxyphenyl)ethyl]butan-1-amine is COCCCCNCCc1cccc(OC)c1.
What is the InChIKey of 4-methoxy-N-[2-(3-methoxyphenyl)ethyl]butan-1-amine?
The InChIKey is IYVVNMTXMIVFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-16-11-4-3-9-15-10-8-13-6-5-7-14(12-13)17-2/h5-7,12,15H,3-4,8-11H2,1-2H3.
What are the key properties of 4-methoxy-N-[2-(3-methoxyphenyl)ethyl]butan-1-amine?
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]butan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(3-methoxyphenyl)ethyl]butan-1-amine is sourced from PubChem (CID 114009157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).