N-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-1-amine

C15H25NO2 — CID 4717536

IUPACN-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-1-amine
SMILESCCCCCNCc1ccc(OC)c(OCC)c1
InChIInChI=1S/C15H25NO2/c1-4-6-7-10-16-12-13-8-9-14(17-3)15(11-13)18-5-2/h8-9,11,16H,4-7,10,12H2,1-3H3
InChIKeyVVQPSNVKVNHZRZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.37
Rot. Bonds9

About N-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-1-amine

N-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-1-amine (PubChem CID 4717536) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-1-amine
PubChem CID4717536
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-1-amine
SMILESCCCCCNCc1ccc(OC)c(OCC)c1
InChIInChI=1S/C15H25NO2/c1-4-6-7-10-16-12-13-8-9-14(17-3)15(11-13)18-5-2/h8-9,11,16H,4-7,10,12H2,1-3H3
InChIKeyVVQPSNVKVNHZRZ-UHFFFAOYSA-N
XLogP3.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.37
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-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
N-[(3,4-dimethoxyphenyl)methyl]heptan-1-amine;hydrochloride
CID 17291147
6-[(3-ethoxy-4-methoxyphenyl)methylamino]hexan-1-ol
CID 103924096
N-[(4-butoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805178
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
5-[(4-ethoxy-3-methoxyphenyl)methylamino]pentan-1-ol
CID 17206733
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206743
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-1-amine
CID 28512615
N'-[(4-ethoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine
CID 60887964
ethyl 4-[(3-ethoxy-4-methoxyphenyl)methylamino]butanoate
CID 64580647
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]octan-1-amine
CID 4722733
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]hexan-1-amine
CID 4716850

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-1-amine?
The IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-1-amine (CID 4717536) is N-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-1-amine.
What is the SMILES notation for N-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-1-amine?
The canonical SMILES for N-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-1-amine is CCCCCNCc1ccc(OC)c(OCC)c1.
What is the InChIKey of N-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-1-amine?
The InChIKey is VVQPSNVKVNHZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-6-7-10-16-12-13-8-9-14(17-3)15(11-13)18-5-2/h8-9,11,16H,4-7,10,12H2,1-3H3.
What are the key properties of N-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-1-amine?
N-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-1-amine is sourced from PubChem (CID 4717536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).