2-(3-phenylprop-2-ynyl)aniline

C15H13N — CID 46849273

IUPAC2-(3-phenylprop-2-ynyl)aniline
SMILESNc1ccccc1CC#Cc1ccccc1
InChIInChI=1S/C15H13N/c16-15-12-5-4-10-14(15)11-6-9-13-7-2-1-3-8-13/h1-5,7-8,10,12H,11,16H2
InChIKeyFQBBWEQCJDNCGA-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.86
Rot. Bonds1

About 2-(3-phenylprop-2-ynyl)aniline

2-(3-phenylprop-2-ynyl)aniline (PubChem CID 46849273) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(3-phenylprop-2-ynyl)aniline.

Molecular Properties

Compound Name2-(3-phenylprop-2-ynyl)aniline
PubChem CID46849273
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name2-(3-phenylprop-2-ynyl)aniline
SMILESNc1ccccc1CC#Cc1ccccc1
InChIInChI=1S/C15H13N/c16-15-12-5-4-10-14(15)11-6-9-13-7-2-1-3-8-13/h1-5,7-8,10,12H,11,16H2
InChIKeyFQBBWEQCJDNCGA-UHFFFAOYSA-N
XLogP2.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3-methylphenyl)prop-2-ynyl]aniline
CID 135080059
2-(3-naphthalen-2-ylprop-2-ynyl)aniline
CID 135078616
1-fluoro-2-(3-phenylprop-2-ynyl)benzene
CID 46894531
1-chloro-4-(3-phenylprop-2-ynyl)benzene
CID 71393321
1,3-dimethoxy-5-(3-phenylprop-2-ynyl)benzene
CID 67418685
2-[3-[4-[3-(2-aminophenyl)sulfanylprop-1-ynyl]phenyl]prop-2-ynylsulfanyl]aniline
CID 11732129
2-(3-phenylprop-2-ynylsulfanyl)pyridin-3-amine
CID 62338669
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
2-[(2-aminophenyl)methyl]aniline;aniline
CID 158811697
2-ethylaniline;propane
CID 143529464
(2-aminophenyl)methyloxidanium
CID 164683115
2-(aminomethyl)aniline;hydrochloride
CID 69170371

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylprop-2-ynyl)aniline?
The IUPAC name of 2-(3-phenylprop-2-ynyl)aniline (CID 46849273) is 2-(3-phenylprop-2-ynyl)aniline.
What is the SMILES notation for 2-(3-phenylprop-2-ynyl)aniline?
The canonical SMILES for 2-(3-phenylprop-2-ynyl)aniline is Nc1ccccc1CC#Cc1ccccc1.
What is the InChIKey of 2-(3-phenylprop-2-ynyl)aniline?
The InChIKey is FQBBWEQCJDNCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c16-15-12-5-4-10-14(15)11-6-9-13-7-2-1-3-8-13/h1-5,7-8,10,12H,11,16H2.
What are the key properties of 2-(3-phenylprop-2-ynyl)aniline?
2-(3-phenylprop-2-ynyl)aniline has a molecular weight of 207.28 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylprop-2-ynyl)aniline is sourced from PubChem (CID 46849273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).