N-[(2,4-diethylphenyl)methyl]prop-2-yn-1-amine

C14H19N — CID 154954779

IUPACN-[(2,4-diethylphenyl)methyl]prop-2-yn-1-amine
SMILESC#CCNCc1ccc(CC)cc1CC
InChIInChI=1S/C14H19N/c1-4-9-15-11-14-8-7-12(5-2)10-13(14)6-3/h1,7-8,10,15H,5-6,9,11H2,2-3H3
InChIKeyZRHIMJFEILSIKG-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.53
Rot. Bonds5

About N-[(2,4-diethylphenyl)methyl]prop-2-yn-1-amine

N-[(2,4-diethylphenyl)methyl]prop-2-yn-1-amine (PubChem CID 154954779) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is N-[(2,4-diethylphenyl)methyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[(2,4-diethylphenyl)methyl]prop-2-yn-1-amine
PubChem CID154954779
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC NameN-[(2,4-diethylphenyl)methyl]prop-2-yn-1-amine
SMILESC#CCNCc1ccc(CC)cc1CC
InChIInChI=1S/C14H19N/c1-4-9-15-11-14-8-7-12(5-2)10-13(14)6-3/h1,7-8,10,15H,5-6,9,11H2,2-3H3
InChIKeyZRHIMJFEILSIKG-UHFFFAOYSA-N
XLogP2.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-diethylphenyl)methyl]prop-2-yn-1-amine?
The IUPAC name of N-[(2,4-diethylphenyl)methyl]prop-2-yn-1-amine (CID 154954779) is N-[(2,4-diethylphenyl)methyl]prop-2-yn-1-amine.
What is the SMILES notation for N-[(2,4-diethylphenyl)methyl]prop-2-yn-1-amine?
The canonical SMILES for N-[(2,4-diethylphenyl)methyl]prop-2-yn-1-amine is C#CCNCc1ccc(CC)cc1CC.
What is the InChIKey of N-[(2,4-diethylphenyl)methyl]prop-2-yn-1-amine?
The InChIKey is ZRHIMJFEILSIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-4-9-15-11-14-8-7-12(5-2)10-13(14)6-3/h1,7-8,10,15H,5-6,9,11H2,2-3H3.
What are the key properties of N-[(2,4-diethylphenyl)methyl]prop-2-yn-1-amine?
N-[(2,4-diethylphenyl)methyl]prop-2-yn-1-amine has a molecular weight of 201.31 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-diethylphenyl)methyl]prop-2-yn-1-amine is sourced from PubChem (CID 154954779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).