2-ethoxy-N-[(3-ethoxyphenyl)methyl]propan-1-amine

C14H23NO2 — CID 115655619

IUPAC2-ethoxy-N-[(3-ethoxyphenyl)methyl]propan-1-amine
SMILESCCOc1cccc(CNCC(C)OCC)c1
InChIInChI=1S/C14H23NO2/c1-4-16-12(3)10-15-11-13-7-6-8-14(9-13)17-5-2/h6-9,12,15H,4-5,10-11H2,1-3H3
InChIKeyVPQBKAWKTCFSNR-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.60
Rot. Bonds8

About 2-ethoxy-N-[(3-ethoxyphenyl)methyl]propan-1-amine

2-ethoxy-N-[(3-ethoxyphenyl)methyl]propan-1-amine (PubChem CID 115655619) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-ethoxy-N-[(3-ethoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-[(3-ethoxyphenyl)methyl]propan-1-amine
PubChem CID115655619
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-ethoxy-N-[(3-ethoxyphenyl)methyl]propan-1-amine
SMILESCCOc1cccc(CNCC(C)OCC)c1
InChIInChI=1S/C14H23NO2/c1-4-16-12(3)10-15-11-13-7-6-8-14(9-13)17-5-2/h6-9,12,15H,4-5,10-11H2,1-3H3
InChIKeyVPQBKAWKTCFSNR-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570264
1-[(3-ethoxyphenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 54937824
1-[(3-ethoxyphenyl)methylamino]butan-2-ol
CID 60884367
3-[(3-ethoxyphenyl)methylamino]-1,1-difluoropropan-2-ol
CID 103731605
1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
2-[[(3-ethoxyphenyl)methylamino]methyl]-4-methylpentanoic acid
CID 122073056
N-[(3-ethoxyphenyl)methyl]prop-2-yn-1-amine
CID 60873507
(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine
CID 40726178
N-[(3-ethoxyphenyl)methyl]pentan-1-amine
CID 4717531
4-[[(3-ethoxyphenyl)methylamino]methyl]phenol
CID 60777598
N-[(3,4-dibromophenyl)methyl]-2-ethoxypropan-1-amine
CID 115693242
N-[(3,4-dichlorophenyl)methyl]-2-ethoxypropan-1-amine
CID 115655535

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(3-ethoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 2-ethoxy-N-[(3-ethoxyphenyl)methyl]propan-1-amine (CID 115655619) is 2-ethoxy-N-[(3-ethoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 2-ethoxy-N-[(3-ethoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 2-ethoxy-N-[(3-ethoxyphenyl)methyl]propan-1-amine is CCOc1cccc(CNCC(C)OCC)c1.
What is the InChIKey of 2-ethoxy-N-[(3-ethoxyphenyl)methyl]propan-1-amine?
The InChIKey is VPQBKAWKTCFSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-16-12(3)10-15-11-13-7-6-8-14(9-13)17-5-2/h6-9,12,15H,4-5,10-11H2,1-3H3.
What are the key properties of 2-ethoxy-N-[(3-ethoxyphenyl)methyl]propan-1-amine?
2-ethoxy-N-[(3-ethoxyphenyl)methyl]propan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(3-ethoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 115655619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).