N-[(2-ethylphenyl)methyl]prop-2-yn-1-amine

C12H15N — CID 62392759

IUPACN-[(2-ethylphenyl)methyl]prop-2-yn-1-amine
SMILESC#CCNCc1ccccc1CC
InChIInChI=1S/C12H15N/c1-3-9-13-10-12-8-6-5-7-11(12)4-2/h1,5-8,13H,4,9-10H2,2H3
InChIKeyVOKUZEUWXBOXKE-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.97
Rot. Bonds4

About N-[(2-ethylphenyl)methyl]prop-2-yn-1-amine

N-[(2-ethylphenyl)methyl]prop-2-yn-1-amine (PubChem CID 62392759) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]prop-2-yn-1-amine
PubChem CID62392759
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC NameN-[(2-ethylphenyl)methyl]prop-2-yn-1-amine
SMILESC#CCNCc1ccccc1CC
InChIInChI=1S/C12H15N/c1-3-9-13-10-12-8-6-5-7-11(12)4-2/h1,5-8,13H,4,9-10H2,2H3
InChIKeyVOKUZEUWXBOXKE-UHFFFAOYSA-N
XLogP1.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.97
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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Related Compounds

N-[[2-(diethylaminomethyl)phenyl]methyl]prop-2-yn-1-amine
CID 60697087
N-[(2,4-diethylphenyl)methyl]prop-2-yn-1-amine
CID 154954779
2-[(prop-2-ynylamino)methyl]benzonitrile
CID 28563080
1-(4-ethylphenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 64680912
N-[(2-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 62392429
N-[(3-chloro-2-fluorophenyl)methyl]prop-2-yn-1-amine
CID 115695732
1,2-diethylbenzene;hydrobromide
CID 174973685
2-[(2-ethylphenyl)methylamino]acetamide
CID 62392428
2-tert-butylsulfonyl-N-[(2-ethylphenyl)methyl]ethanamine
CID 106723822
methyl 2-[(2-ethylphenyl)methylamino]acetate
CID 62390681
4-[(2-ethylphenyl)methylamino]butan-1-ol
CID 64680949
N'-tert-butyl-N-[(2-ethylphenyl)methyl]ethane-1,2-diamine
CID 113405413

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]prop-2-yn-1-amine?
The IUPAC name of N-[(2-ethylphenyl)methyl]prop-2-yn-1-amine (CID 62392759) is N-[(2-ethylphenyl)methyl]prop-2-yn-1-amine.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]prop-2-yn-1-amine?
The canonical SMILES for N-[(2-ethylphenyl)methyl]prop-2-yn-1-amine is C#CCNCc1ccccc1CC.
What is the InChIKey of N-[(2-ethylphenyl)methyl]prop-2-yn-1-amine?
The InChIKey is VOKUZEUWXBOXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-3-9-13-10-12-8-6-5-7-11(12)4-2/h1,5-8,13H,4,9-10H2,2H3.
What are the key properties of N-[(2-ethylphenyl)methyl]prop-2-yn-1-amine?
N-[(2-ethylphenyl)methyl]prop-2-yn-1-amine has a molecular weight of 173.26 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]prop-2-yn-1-amine is sourced from PubChem (CID 62392759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).