N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]propan-1-amine

C14H23NO3 — CID 43516566

IUPACN-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]propan-1-amine
SMILESCCCNCc1cc(OC)c(OCC)c(OC)c1
InChIInChI=1S/C14H23NO3/c1-5-7-15-10-11-8-12(16-3)14(18-6-2)13(9-11)17-4/h8-9,15H,5-7,10H2,1-4H3
InChIKeyXIEJSUMQRICXFV-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.60
Rot. Bonds8

About N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]propan-1-amine

N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]propan-1-amine (PubChem CID 43516566) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]propan-1-amine
PubChem CID43516566
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]propan-1-amine
SMILESCCCNCc1cc(OC)c(OCC)c(OC)c1
InChIInChI=1S/C14H23NO3/c1-5-7-15-10-11-8-12(16-3)14(18-6-2)13(9-11)17-4/h8-9,15H,5-7,10H2,1-4H3
InChIKeyXIEJSUMQRICXFV-UHFFFAOYSA-N
XLogP2.60
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17293493
N-[[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]methyl]propan-1-amine
CID 62104364
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
N-[(4-ethoxy-3,5-dimethylphenyl)methyl]propan-1-amine
CID 43276749
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17292224
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]pentan-1-amine;hydrochloride
CID 17292240
1-[(4-ethoxy-3,5-dimethoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 119128562
2,6-dimethoxy-4-(propylaminomethyl)phenol;hydrochloride
CID 45259502
4-[(4-ethoxy-3,5-dimethoxyphenyl)methylamino]-2,2-dimethylbutanoic acid
CID 122126903
N'-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215592
N-[[4-(ethoxymethoxy)-3-methoxyphenyl]methyl]propan-1-amine
CID 65369500
3-butoxy-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]propan-1-amine
CID 17207747

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]propan-1-amine (CID 43516566) is N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]propan-1-amine is CCCNCc1cc(OC)c(OCC)c(OC)c1.
What is the InChIKey of N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]propan-1-amine?
The InChIKey is XIEJSUMQRICXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-5-7-15-10-11-8-12(16-3)14(18-6-2)13(9-11)17-4/h8-9,15H,5-7,10H2,1-4H3.
What are the key properties of N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]propan-1-amine?
N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]propan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43516566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).