N,N-dimethyl-4-[1-(4-methylphenyl)prop-2-ynyl]aniline

C18H19N — CID 101206953

IUPACN,N-dimethyl-4-[1-(4-methylphenyl)prop-2-ynyl]aniline
SMILESC#CC(c1ccc(C)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H19N/c1-5-18(15-8-6-14(2)7-9-15)16-10-12-17(13-11-16)19(3)4/h1,6-13,18H,2-4H3
InChIKeyUGRXMJYZXAOJRC-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.83
Rot. Bonds3

About N,N-dimethyl-4-[1-(4-methylphenyl)prop-2-ynyl]aniline

N,N-dimethyl-4-[1-(4-methylphenyl)prop-2-ynyl]aniline (PubChem CID 101206953) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(4-methylphenyl)prop-2-ynyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(4-methylphenyl)prop-2-ynyl]aniline
PubChem CID101206953
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC NameN,N-dimethyl-4-[1-(4-methylphenyl)prop-2-ynyl]aniline
SMILESC#CC(c1ccc(C)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H19N/c1-5-18(15-8-6-14(2)7-9-15)16-10-12-17(13-11-16)19(3)4/h1,6-13,18H,2-4H3
InChIKeyUGRXMJYZXAOJRC-UHFFFAOYSA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-bis[4-(dimethylamino)phenyl]acetonitrile
CID 12561421
1-N,1-N,4-N-trimethyl-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 18736513
1-[4-(dimethylamino)phenyl]-1-(4-methylphenyl)prop-2-yn-1-ol
CID 90194909
ethenol;N,N,4-trimethylaniline
CID 161109749
N,N-dimethyl-4-[1-(propylamino)prop-2-ynyl]aniline
CID 105158304
N,N-dimethyl-4-propan-2-ylaniline;methane
CID 161012849
4-[3-[4-(dimethylamino)phenyl]butan-2-yl]-N,N-dimethylaniline
CID 101124306
4-[4-(difluoromethyl)phenyl]-N,N-dimethylaniline
CID 132579488
bis[4-(dimethylamino)phenyl]methyl 4-methylbenzenesulfonate
CID 88686253
4-(1-aminopent-4-ynyl)-N,N-dimethylaniline
CID 105149189
N-methyl-N-[1-(4-methylphenyl)ethyl]prop-2-yn-1-amine
CID 59766585
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(4-methylphenyl)prop-2-ynyl]aniline?
The IUPAC name of N,N-dimethyl-4-[1-(4-methylphenyl)prop-2-ynyl]aniline (CID 101206953) is N,N-dimethyl-4-[1-(4-methylphenyl)prop-2-ynyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[1-(4-methylphenyl)prop-2-ynyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[1-(4-methylphenyl)prop-2-ynyl]aniline is C#CC(c1ccc(C)cc1)c1ccc(N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[1-(4-methylphenyl)prop-2-ynyl]aniline?
The InChIKey is UGRXMJYZXAOJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-5-18(15-8-6-14(2)7-9-15)16-10-12-17(13-11-16)19(3)4/h1,6-13,18H,2-4H3.
What are the key properties of N,N-dimethyl-4-[1-(4-methylphenyl)prop-2-ynyl]aniline?
N,N-dimethyl-4-[1-(4-methylphenyl)prop-2-ynyl]aniline has a molecular weight of 249.36 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-(4-methylphenyl)prop-2-ynyl]aniline is sourced from PubChem (CID 101206953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).