1-(2,5-dimethylphenyl)-N-methylpent-4-yn-2-amine

C14H19N — CID 114977590

IUPAC1-(2,5-dimethylphenyl)-N-methylpent-4-yn-2-amine
SMILESC#CCC(Cc1cc(C)ccc1C)NC
InChIInChI=1S/C14H19N/c1-5-6-14(15-4)10-13-9-11(2)7-8-12(13)3/h1,7-9,14-15H,6,10H2,2-4H3
InChIKeyWPFKHUXKCGMTRI-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.46
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-N-methylpent-4-yn-2-amine

1-(2,5-dimethylphenyl)-N-methylpent-4-yn-2-amine (PubChem CID 114977590) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-methylpent-4-yn-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-methylpent-4-yn-2-amine
PubChem CID114977590
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name1-(2,5-dimethylphenyl)-N-methylpent-4-yn-2-amine
SMILESC#CCC(Cc1cc(C)ccc1C)NC
InChIInChI=1S/C14H19N/c1-5-6-14(15-4)10-13-9-11(2)7-8-12(13)3/h1,7-9,14-15H,6,10H2,2-4H3
InChIKeyWPFKHUXKCGMTRI-UHFFFAOYSA-N
XLogP2.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethylphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135800
1-(2-bromophenyl)-3-(2,5-dimethylphenyl)-N-methylpropan-2-amine
CID 63420181
1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-methylpropan-2-amine
CID 61481786
1-(2,5-dimethylphenyl)-6-methoxy-N-methylhexan-2-amine
CID 112754817
1-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 61481696
1-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine
CID 105019818
1-(2,5-dimethylphenyl)-3-(1H-imidazol-2-yl)-N-methylpropan-2-amine
CID 62538180
1-(2,5-dimethylphenyl)-N-methylnon-8-en-2-amine
CID 107011687
1-(2,5-dimethylphenyl)hex-5-yn-2-amine
CID 115859627
1-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63508884
3-(2,5-dimethylphenyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 115802743
2-(2,5-dimethylphenyl)-N-pent-4-yn-2-ylacetamide
CID 115662051

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-methylpent-4-yn-2-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-methylpent-4-yn-2-amine (CID 114977590) is 1-(2,5-dimethylphenyl)-N-methylpent-4-yn-2-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-methylpent-4-yn-2-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-methylpent-4-yn-2-amine is C#CCC(Cc1cc(C)ccc1C)NC.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-methylpent-4-yn-2-amine?
The InChIKey is WPFKHUXKCGMTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-5-6-14(15-4)10-13-9-11(2)7-8-12(13)3/h1,7-9,14-15H,6,10H2,2-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-methylpent-4-yn-2-amine?
1-(2,5-dimethylphenyl)-N-methylpent-4-yn-2-amine has a molecular weight of 201.31 g/mol, XLogP of 2.46, 4 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-methylpent-4-yn-2-amine is sourced from PubChem (CID 114977590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).