3-(3,5-dimethylphenyl)-N-propylbutan-1-amine

C15H25N — CID 81019638

IUPAC3-(3,5-dimethylphenyl)-N-propylbutan-1-amine
SMILESCCCNCCC(C)c1cc(C)cc(C)c1
InChIInChI=1S/C15H25N/c1-5-7-16-8-6-14(4)15-10-12(2)9-13(3)11-15/h9-11,14,16H,5-8H2,1-4H3
InChIKeyFGZPQNKQPNJPMU-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.80
Rot. Bonds6

About 3-(3,5-dimethylphenyl)-N-propylbutan-1-amine

3-(3,5-dimethylphenyl)-N-propylbutan-1-amine (PubChem CID 81019638) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-N-propylbutan-1-amine
PubChem CID81019638
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name3-(3,5-dimethylphenyl)-N-propylbutan-1-amine
SMILESCCCNCCC(C)c1cc(C)cc(C)c1
InChIInChI=1S/C15H25N/c1-5-7-16-8-6-14(4)15-10-12(2)9-13(3)11-15/h9-11,14,16H,5-8H2,1-4H3
InChIKeyFGZPQNKQPNJPMU-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 81018563
1,3-dimethyl-5-tetradecan-2-ylbenzene
CID 54014931
3-(4-tert-butylphenyl)-N-propylbutan-1-amine
CID 81020319
3-(3-chlorophenyl)-N-propylbutan-1-amine
CID 81019397
1-[(2R)-butan-2-yl]-3,5-dimethylbenzene
CID 145157940
3-(5-fluoro-2-methylphenyl)-N-propylbutan-1-amine
CID 81019160
1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63417237
2-(3,5-dimethylphenyl)-N-propylhexan-3-amine
CID 83050812
3-(3-methylphenyl)-N-(2-methylpropyl)butan-1-amine
CID 81019471
1-[1-(3,5-dimethylphenyl)butyl]-3,5-dimethylbenzene
CID 19990134
2-(3,5-dimethylphenyl)propan-1-amine
CID 79003874
ethane;3-methyl-N-propylbutan-1-amine
CID 142041555

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-N-propylbutan-1-amine?
The IUPAC name of 3-(3,5-dimethylphenyl)-N-propylbutan-1-amine (CID 81019638) is 3-(3,5-dimethylphenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-N-propylbutan-1-amine?
The canonical SMILES for 3-(3,5-dimethylphenyl)-N-propylbutan-1-amine is CCCNCCC(C)c1cc(C)cc(C)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-N-propylbutan-1-amine?
The InChIKey is FGZPQNKQPNJPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-5-7-16-8-6-14(4)15-10-12(2)9-13(3)11-15/h9-11,14,16H,5-8H2,1-4H3.
What are the key properties of 3-(3,5-dimethylphenyl)-N-propylbutan-1-amine?
3-(3,5-dimethylphenyl)-N-propylbutan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-N-propylbutan-1-amine is sourced from PubChem (CID 81019638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).