1-(3,5-dimethylphenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine

C20H27N — CID 105097119

IUPAC1-(3,5-dimethylphenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
SMILESCCNC(CCc1ccc(C)cc1)c1cc(C)cc(C)c1
InChIInChI=1S/C20H27N/c1-5-21-20(19-13-16(3)12-17(4)14-19)11-10-18-8-6-15(2)7-9-18/h6-9,12-14,20-21H,5,10-11H2,1-4H3
InChIKeyPQQKLXGSUYHJKH-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.90
Rot. Bonds6

About 1-(3,5-dimethylphenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine

1-(3,5-dimethylphenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine (PubChem CID 105097119) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
PubChem CID105097119
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name1-(3,5-dimethylphenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
SMILESCCNC(CCc1ccc(C)cc1)c1cc(C)cc(C)c1
InChIInChI=1S/C20H27N/c1-5-21-20(19-13-16(3)12-17(4)14-19)11-10-18-8-6-15(2)7-9-18/h6-9,12-14,20-21H,5,10-11H2,1-4H3
InChIKeyPQQKLXGSUYHJKH-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dichlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105076952
1-(3-chlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105106501
N-ethyl-1-(5-fluoro-3-pyridinyl)-3-(4-methylphenyl)propan-1-amine
CID 105102454
N-ethyl-3-(4-methylphenyl)-1-pyridin-3-ylpropan-1-amine
CID 105098484
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(4-methylphenyl)ethanamine
CID 79704346
N-ethyl-1-(5-methyl-3-pyridinyl)-3-pyridin-4-ylpropan-1-amine
CID 105173949
1-(2,4-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105143731
N-ethyl-3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-amine
CID 102840839
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105397098
N-ethyl-3-(2-methylphenyl)-1-(4-methylphenyl)propan-1-amine
CID 105092556
N-ethyl-1-(4-methylphenyl)-4-phenylbutan-1-amine
CID 63411938
[3-(4-methylphenyl)-1-(4-propylphenyl)propyl]hydrazine
CID 105303760

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine (CID 105097119) is 1-(3,5-dimethylphenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine is CCNC(CCc1ccc(C)cc1)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine?
The InChIKey is PQQKLXGSUYHJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-5-21-20(19-13-16(3)12-17(4)14-19)11-10-18-8-6-15(2)7-9-18/h6-9,12-14,20-21H,5,10-11H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine?
1-(3,5-dimethylphenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 105097119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).