5-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]pentan-1-amine

C17H29NO2 — CID 65180749

IUPAC5-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]pentan-1-amine
SMILESCCNCC(CCCOCC)Cc1cccc(OC)c1
InChIInChI=1S/C17H29NO2/c1-4-18-14-16(9-7-11-20-5-2)12-15-8-6-10-17(13-15)19-3/h6,8,10,13,16,18H,4-5,7,9,11-12,14H2,1-3H3
InChIKeyMCFKCEFRSQROGN-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.28
Rot. Bonds11

About 5-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]pentan-1-amine

5-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]pentan-1-amine (PubChem CID 65180749) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 5-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]pentan-1-amine.

Molecular Properties

Compound Name5-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]pentan-1-amine
PubChem CID65180749
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name5-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]pentan-1-amine
SMILESCCNCC(CCCOCC)Cc1cccc(OC)c1
InChIInChI=1S/C17H29NO2/c1-4-18-14-16(9-7-11-20-5-2)12-15-8-6-10-17(13-15)19-3/h6,8,10,13,16,18H,4-5,7,9,11-12,14H2,1-3H3
InChIKeyMCFKCEFRSQROGN-UHFFFAOYSA-N
XLogP3.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.28
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
N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62530770
5-methoxy-2-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 62514571
2-[(3-methoxyphenyl)methyl]-6-methyl-N-propylheptan-1-amine
CID 83148145
4-ethoxy-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62529202
2-[(4-chlorophenyl)methyl]-5-ethoxy-N-ethylpentan-1-amine
CID 65180803
2-[(3-chlorophenyl)methyl]-5-ethoxy-N-(2-methoxyethyl)pentan-1-amine
CID 65178041
2-[(3-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine
CID 62514731
2-[(3-methoxyphenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 63521216
[4-ethoxy-1-(3-methoxyphenyl)butan-2-yl]hydrazine
CID 105295390
N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-amine
CID 103138315
1-[2-(bromomethyl)-5-methoxypentyl]-3-methoxybenzene
CID 66041333

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]pentan-1-amine?
The IUPAC name of 5-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]pentan-1-amine (CID 65180749) is 5-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]pentan-1-amine.
What is the SMILES notation for 5-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]pentan-1-amine?
The canonical SMILES for 5-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]pentan-1-amine is CCNCC(CCCOCC)Cc1cccc(OC)c1.
What is the InChIKey of 5-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]pentan-1-amine?
The InChIKey is MCFKCEFRSQROGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-18-14-16(9-7-11-20-5-2)12-15-8-6-10-17(13-15)19-3/h6,8,10,13,16,18H,4-5,7,9,11-12,14H2,1-3H3.
What are the key properties of 5-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]pentan-1-amine?
5-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]pentan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.28, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]pentan-1-amine is sourced from PubChem (CID 65180749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).