N,N-dimethyl-3-(2-methylphenyl)prop-2-yn-1-amine

C12H15N — CID 34243612

IUPACN,N-dimethyl-3-(2-methylphenyl)prop-2-yn-1-amine
SMILESCc1ccccc1C#CCN(C)C
InChIInChI=1S/C12H15N/c1-11-7-4-5-8-12(11)9-6-10-13(2)3/h4-5,7-8H,10H2,1-3H3
InChIKeyKAMUFWHEGHLVGX-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.91
Rot. Bonds1

About N,N-dimethyl-3-(2-methylphenyl)prop-2-yn-1-amine

N,N-dimethyl-3-(2-methylphenyl)prop-2-yn-1-amine (PubChem CID 34243612) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-methylphenyl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-methylphenyl)prop-2-yn-1-amine
PubChem CID34243612
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC NameN,N-dimethyl-3-(2-methylphenyl)prop-2-yn-1-amine
SMILESCc1ccccc1C#CCN(C)C
InChIInChI=1S/C12H15N/c1-11-7-4-5-8-12(11)9-6-10-13(2)3/h4-5,7-8H,10H2,1-3H3
InChIKeyKAMUFWHEGHLVGX-UHFFFAOYSA-N
XLogP1.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-3-(2-methylphenyl)prop-2-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methylphenyl)prop-2-yn-1-ol
CID 45156701
1-methyl-2-(4,4,4-trifluorobut-1-ynyl)benzene
CID 102334510
1-(5-chloropent-1-ynyl)-2-methylbenzene
CID 112554310
1-methyl-2-[(E)-5-phenylpent-4-en-1-ynyl]benzene
CID 164683493
1-[3-(2-methylphenyl)prop-2-ynyl]piperidine
CID 12056783
4-[3-(dimethylamino)prop-1-ynyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 68715594
4-bromo-2-methyl-1-[2-(2-methylphenyl)ethynyl]benzene
CID 139153461
N,N-dimethyl-3-(5-methyl-2-nitrophenyl)prop-2-yn-1-amine
CID 58478624
3-(5-bromo-2,6-dimethyl-3-pyridinyl)-N,N-dimethylprop-2-yn-1-amine
CID 58476641
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-methylbenzamide
CID 90552098
2-methylbenzonitrile
CID 162098401
3-(2-methylphenyl)prop-2-ynoic acid
CID 12754024

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2-methylphenyl)prop-2-yn-1-amine?
The IUPAC name of N,N-dimethyl-3-(2-methylphenyl)prop-2-yn-1-amine (CID 34243612) is N,N-dimethyl-3-(2-methylphenyl)prop-2-yn-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(2-methylphenyl)prop-2-yn-1-amine?
The canonical SMILES for N,N-dimethyl-3-(2-methylphenyl)prop-2-yn-1-amine is Cc1ccccc1C#CCN(C)C.
What is the InChIKey of N,N-dimethyl-3-(2-methylphenyl)prop-2-yn-1-amine?
The InChIKey is KAMUFWHEGHLVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-11-7-4-5-8-12(11)9-6-10-13(2)3/h4-5,7-8H,10H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(2-methylphenyl)prop-2-yn-1-amine?
N,N-dimethyl-3-(2-methylphenyl)prop-2-yn-1-amine has a molecular weight of 173.26 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2-methylphenyl)prop-2-yn-1-amine is sourced from PubChem (CID 34243612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).