1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-1-amine

C19H25N — CID 43490830

IUPAC1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-1-amine
SMILESCCNC(CCc1ccccc1)c1cc(C)ccc1C
InChIInChI=1S/C19H25N/c1-4-20-19(13-12-17-8-6-5-7-9-17)18-14-15(2)10-11-16(18)3/h5-11,14,19-20H,4,12-13H2,1-3H3
InChIKeyQFIZMIUOOFFPJG-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.59
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-1-amine

1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-1-amine (PubChem CID 43490830) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-1-amine
PubChem CID43490830
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-1-amine
SMILESCCNC(CCc1ccccc1)c1cc(C)ccc1C
InChIInChI=1S/C19H25N/c1-4-20-19(13-12-17-8-6-5-7-9-17)18-14-15(2)10-11-16(18)3/h5-11,14,19-20H,4,12-13H2,1-3H3
InChIKeyQFIZMIUOOFFPJG-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dimethylphenyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine
CID 105120553
1-(2,5-dimethylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43490798
1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 43490783
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-3-phenylpropan-1-amine
CID 115794160
1-(2,5-dimethylphenyl)-N-methyl-4-phenylbutan-1-amine
CID 115849503
1-(2,5-dimethylphenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105120019
1-(2-chloro-4-methylphenyl)-N-ethyl-4-phenylbutan-1-amine
CID 106857406
1-(2,5-dimethylphenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105120236
N-ethyl-1-(2-methylphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105094779
1-(4-bromo-3-methylphenyl)-N-ethyl-3-phenylpropan-1-amine
CID 115793778
N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropan-1-amine
CID 43081126
N-ethyl-3-(4-methoxyphenyl)-1-(2-methylphenyl)propan-1-amine
CID 65444570

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-1-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-1-amine (CID 43490830) is 1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-1-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-1-amine is CCNC(CCc1ccccc1)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-1-amine?
The InChIKey is QFIZMIUOOFFPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-4-20-19(13-12-17-8-6-5-7-9-17)18-14-15(2)10-11-16(18)3/h5-11,14,19-20H,4,12-13H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-1-amine?
1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-1-amine is sourced from PubChem (CID 43490830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).