1-(4-ethylphenyl)-N-(2-phenoxyethyl)propan-1-amine

C19H25NO — CID 63453795

IUPAC1-(4-ethylphenyl)-N-(2-phenoxyethyl)propan-1-amine
SMILESCCc1ccc(C(CC)NCCOc2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-3-16-10-12-17(13-11-16)19(4-2)20-14-15-21-18-8-6-5-7-9-18/h5-13,19-20H,3-4,14-15H2,1-2H3
InChIKeyHCIXJVDSFSREFG-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.37
Rot. Bonds8

About 1-(4-ethylphenyl)-N-(2-phenoxyethyl)propan-1-amine

1-(4-ethylphenyl)-N-(2-phenoxyethyl)propan-1-amine (PubChem CID 63453795) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-(2-phenoxyethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-(2-phenoxyethyl)propan-1-amine
PubChem CID63453795
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name1-(4-ethylphenyl)-N-(2-phenoxyethyl)propan-1-amine
SMILESCCc1ccc(C(CC)NCCOc2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-3-16-10-12-17(13-11-16)19(4-2)20-14-15-21-18-8-6-5-7-9-18/h5-13,19-20H,3-4,14-15H2,1-2H3
InChIKeyHCIXJVDSFSREFG-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-[4-(2-phenylethoxy)phenyl]propan-1-amine
CID 43280157
N-[2-(4-ethylphenoxy)ethyl]butan-2-amine
CID 54802109
1-(4-pentoxyphenyl)-N-propylpropan-1-amine
CID 43280171
3-[1-(4-ethylphenyl)propylamino]propanoic acid
CID 43310130
N-[2-(4-ethylphenoxy)ethyl]aniline
CID 54796136
1-(4-ethylphenyl)-N-(2-pyridin-3-ylethyl)propan-1-amine
CID 60913064
N-ethyl-1-(4-phenoxyphenyl)propan-1-amine
CID 43489604
(1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine
CID 81357239
N-[2-(4-phenoxyphenoxy)ethyl]butan-2-amine
CID 63504622
1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine
CID 54932076
N-[1-(4-ethylphenyl)propyl]-3-methylsulfinylbutan-1-amine
CID 115894514
1-phenyl-N-[(3-propoxyphenyl)methyl]propan-1-amine
CID 54848596

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-(2-phenoxyethyl)propan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-N-(2-phenoxyethyl)propan-1-amine (CID 63453795) is 1-(4-ethylphenyl)-N-(2-phenoxyethyl)propan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-(2-phenoxyethyl)propan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-N-(2-phenoxyethyl)propan-1-amine is CCc1ccc(C(CC)NCCOc2ccccc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-(2-phenoxyethyl)propan-1-amine?
The InChIKey is HCIXJVDSFSREFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-16-10-12-17(13-11-16)19(4-2)20-14-15-21-18-8-6-5-7-9-18/h5-13,19-20H,3-4,14-15H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-N-(2-phenoxyethyl)propan-1-amine?
1-(4-ethylphenyl)-N-(2-phenoxyethyl)propan-1-amine has a molecular weight of 283.41 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-(2-phenoxyethyl)propan-1-amine is sourced from PubChem (CID 63453795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).