1-[4-(2,5-dimethylphenyl)phenyl]-N-propylpropan-1-amine

C20H27N — CID 63424403

IUPAC1-[4-(2,5-dimethylphenyl)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(-c2cc(C)ccc2C)cc1
InChIInChI=1S/C20H27N/c1-5-13-21-20(6-2)18-11-9-17(10-12-18)19-14-15(3)7-8-16(19)4/h7-12,14,20-21H,5-6,13H2,1-4H3
InChIKeyRMXQEVXBKAUUMY-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.42
Rot. Bonds6

About 1-[4-(2,5-dimethylphenyl)phenyl]-N-propylpropan-1-amine

1-[4-(2,5-dimethylphenyl)phenyl]-N-propylpropan-1-amine (PubChem CID 63424403) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylphenyl)phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[4-(2,5-dimethylphenyl)phenyl]-N-propylpropan-1-amine
PubChem CID63424403
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name1-[4-(2,5-dimethylphenyl)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(-c2cc(C)ccc2C)cc1
InChIInChI=1S/C20H27N/c1-5-13-21-20(6-2)18-11-9-17(10-12-18)19-14-15(3)7-8-16(19)4/h7-12,14,20-21H,5-6,13H2,1-4H3
InChIKeyRMXQEVXBKAUUMY-UHFFFAOYSA-N
XLogP5.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol
CID 29083030
N-[1-(4-methylphenyl)propyl]octan-1-amine
CID 43225299
1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine
CID 63888912
1-[4-(3,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine
CID 114879199
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
1-(4-methoxy-3-methylphenyl)-N-propylpropan-1-amine
CID 43498177
1-(4-bromo-3,5-dimethylphenyl)-N-propylpropan-1-amine
CID 114330802
4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 64565776
1-(4-methylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine
CID 60713855
3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine
CID 63412327
N-[1-(4-methylphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 64614922
N-[1-(4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 43495145

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethylphenyl)phenyl]-N-propylpropan-1-amine?
The IUPAC name of 1-[4-(2,5-dimethylphenyl)phenyl]-N-propylpropan-1-amine (CID 63424403) is 1-[4-(2,5-dimethylphenyl)phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[4-(2,5-dimethylphenyl)phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[4-(2,5-dimethylphenyl)phenyl]-N-propylpropan-1-amine is CCCNC(CC)c1ccc(-c2cc(C)ccc2C)cc1.
What is the InChIKey of 1-[4-(2,5-dimethylphenyl)phenyl]-N-propylpropan-1-amine?
The InChIKey is RMXQEVXBKAUUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-5-13-21-20(6-2)18-11-9-17(10-12-18)19-14-15(3)7-8-16(19)4/h7-12,14,20-21H,5-6,13H2,1-4H3.
What are the key properties of 1-[4-(2,5-dimethylphenyl)phenyl]-N-propylpropan-1-amine?
1-[4-(2,5-dimethylphenyl)phenyl]-N-propylpropan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethylphenyl)phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 63424403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).