2-ethoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine

C14H23NO — CID 115724375

IUPAC2-ethoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine
SMILESCCOC(C)CNC(C)c1ccc(C)cc1
InChIInChI=1S/C14H23NO/c1-5-16-12(3)10-15-13(4)14-8-6-11(2)7-9-14/h6-9,12-13,15H,5,10H2,1-4H3
InChIKeyMNBRHAWVWHHRBP-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.07
Rot. Bonds6

About 2-ethoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine

2-ethoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine (PubChem CID 115724375) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-ethoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine
PubChem CID115724375
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-ethoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine
SMILESCCOC(C)CNC(C)c1ccc(C)cc1
InChIInChI=1S/C14H23NO/c1-5-16-12(3)10-15-13(4)14-8-6-11(2)7-9-14/h6-9,12-13,15H,5,10H2,1-4H3
InChIKeyMNBRHAWVWHHRBP-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propan-1-amine
CID 115724383
2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-1-amine
CID 81350261
2-methyl-3-[1-(4-methylphenyl)ethylamino]propan-1-ol
CID 65034209
2-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine
CID 115724331
1-[(1R)-1-ethoxyethyl]-4-methylbenzene
CID 11130348
N-[1-(4-bromophenyl)ethyl]-2,2-diethoxyethanamine
CID 79548377
N-[1-(4-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 43097751
2,2-diethoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]ethanamine
CID 79537975
2,2-diethoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethanamine
CID 79538272
(1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine
CID 26601188
1-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81355468
1-(4-methoxyphenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81347393

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of 2-ethoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine (CID 115724375) is 2-ethoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 2-ethoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for 2-ethoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine is CCOC(C)CNC(C)c1ccc(C)cc1.
What is the InChIKey of 2-ethoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine?
The InChIKey is MNBRHAWVWHHRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-16-12(3)10-15-13(4)14-8-6-11(2)7-9-14/h6-9,12-13,15H,5,10H2,1-4H3.
What are the key properties of 2-ethoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine?
2-ethoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 115724375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).