2-ethoxy-N-[(4-propoxyphenyl)methyl]propan-1-amine

C15H25NO2 — CID 115655586

IUPAC2-ethoxy-N-[(4-propoxyphenyl)methyl]propan-1-amine
SMILESCCCOc1ccc(CNCC(C)OCC)cc1
InChIInChI=1S/C15H25NO2/c1-4-10-18-15-8-6-14(7-9-15)12-16-11-13(3)17-5-2/h6-9,13,16H,4-5,10-12H2,1-3H3
InChIKeyGZZXYVWFBVSRGT-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.99
Rot. Bonds9

About 2-ethoxy-N-[(4-propoxyphenyl)methyl]propan-1-amine

2-ethoxy-N-[(4-propoxyphenyl)methyl]propan-1-amine (PubChem CID 115655586) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-ethoxy-N-[(4-propoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-[(4-propoxyphenyl)methyl]propan-1-amine
PubChem CID115655586
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-ethoxy-N-[(4-propoxyphenyl)methyl]propan-1-amine
SMILESCCCOc1ccc(CNCC(C)OCC)cc1
InChIInChI=1S/C15H25NO2/c1-4-10-18-15-8-6-14(7-9-15)12-16-11-13(3)17-5-2/h6-9,13,16H,4-5,10-12H2,1-3H3
InChIKeyGZZXYVWFBVSRGT-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-[(4-pentoxyphenyl)methyl]propan-1-amine
CID 115655578
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770
2-methyl-N-[(4-octoxyphenyl)methyl]propan-1-amine
CID 60657431
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
2-ethoxy-N-[(6-methoxynaphthalen-2-yl)methyl]propan-1-amine
CID 115655584
N-[[4-(2-butan-2-yloxyethoxy)phenyl]methyl]propan-1-amine
CID 62452923
1-[(4-butoxyphenyl)methylamino]-3-methylbutan-2-ol
CID 115630592
N-[[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 62446407
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291298
2-ethoxy-N-[(3-ethoxyphenyl)methyl]propan-1-amine
CID 115655619
(2S)-1-[(4-hexoxyphenyl)methylamino]propan-2-ol
CID 46872164
(2R)-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 28610492

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(4-propoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 2-ethoxy-N-[(4-propoxyphenyl)methyl]propan-1-amine (CID 115655586) is 2-ethoxy-N-[(4-propoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 2-ethoxy-N-[(4-propoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 2-ethoxy-N-[(4-propoxyphenyl)methyl]propan-1-amine is CCCOc1ccc(CNCC(C)OCC)cc1.
What is the InChIKey of 2-ethoxy-N-[(4-propoxyphenyl)methyl]propan-1-amine?
The InChIKey is GZZXYVWFBVSRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-10-18-15-8-6-14(7-9-15)12-16-11-13(3)17-5-2/h6-9,13,16H,4-5,10-12H2,1-3H3.
What are the key properties of 2-ethoxy-N-[(4-propoxyphenyl)methyl]propan-1-amine?
2-ethoxy-N-[(4-propoxyphenyl)methyl]propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(4-propoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 115655586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).