3-(2,3-dimethylphenyl)-2-methyl-N-propylpropan-1-amine

C15H25N — CID 64665620

IUPAC3-(2,3-dimethylphenyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)Cc1cccc(C)c1C
InChIInChI=1S/C15H25N/c1-5-9-16-11-12(2)10-15-8-6-7-13(3)14(15)4/h6-8,12,16H,5,9-11H2,1-4H3
InChIKeyVKPRGAPMFORXLH-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.48
Rot. Bonds6

About 3-(2,3-dimethylphenyl)-2-methyl-N-propylpropan-1-amine

3-(2,3-dimethylphenyl)-2-methyl-N-propylpropan-1-amine (PubChem CID 64665620) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 3-(2,3-dimethylphenyl)-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dimethylphenyl)-2-methyl-N-propylpropan-1-amine
PubChem CID64665620
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name3-(2,3-dimethylphenyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)Cc1cccc(C)c1C
InChIInChI=1S/C15H25N/c1-5-9-16-11-12(2)10-15-8-6-7-13(3)14(15)4/h6-8,12,16H,5,9-11H2,1-4H3
InChIKeyVKPRGAPMFORXLH-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
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-(2,3-difluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 62528277
2-methyl-3-(2-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 102837813
2-methyl-3-(3-methylthiophen-2-yl)-N-propylpropan-1-amine
CID 79995326
2-methyl-4-(4-methylphenyl)-N-propylbutan-1-amine
CID 64664775
2-(2,6-dimethylphenoxy)-N-propylpropan-1-amine
CID 54798323
3-(2,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 64666245
3-(2-ethyl-3-methylphenyl)-N,2-dimethylpropan-1-amine
CID 171831646
3-(5-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 62529881
3-(4-bromophenyl)-2-methyl-N-propylpropan-1-amine
CID 62531086
2-[(2,6-dimethylphenyl)methyl]-3,3-dimethyl-N-propylbutan-1-amine
CID 83139809
4-(2,5-dimethylphenyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 81016684
1,2-dimethyl-3-(2-methylbut-3-ynyl)benzene
CID 83922042

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenyl)-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 3-(2,3-dimethylphenyl)-2-methyl-N-propylpropan-1-amine (CID 64665620) is 3-(2,3-dimethylphenyl)-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(2,3-dimethylphenyl)-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(2,3-dimethylphenyl)-2-methyl-N-propylpropan-1-amine is CCCNCC(C)Cc1cccc(C)c1C.
What is the InChIKey of 3-(2,3-dimethylphenyl)-2-methyl-N-propylpropan-1-amine?
The InChIKey is VKPRGAPMFORXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-5-9-16-11-12(2)10-15-8-6-7-13(3)14(15)4/h6-8,12,16H,5,9-11H2,1-4H3.
What are the key properties of 3-(2,3-dimethylphenyl)-2-methyl-N-propylpropan-1-amine?
3-(2,3-dimethylphenyl)-2-methyl-N-propylpropan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenyl)-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 64665620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).