N-ethyl-1-(2-ethylphenyl)prop-2-yn-1-amine

C13H17N — CID 104995728

IUPACN-ethyl-1-(2-ethylphenyl)prop-2-yn-1-amine
SMILESC#CC(NCC)c1ccccc1CC
InChIInChI=1S/C13H17N/c1-4-11-9-7-8-10-12(11)13(5-2)14-6-3/h2,7-10,13-14H,4,6H2,1,3H3
InChIKeyIVJNDEOEDXZCBC-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.53
Rot. Bonds4

About N-ethyl-1-(2-ethylphenyl)prop-2-yn-1-amine

N-ethyl-1-(2-ethylphenyl)prop-2-yn-1-amine (PubChem CID 104995728) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is N-ethyl-1-(2-ethylphenyl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-ethylphenyl)prop-2-yn-1-amine
PubChem CID104995728
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC NameN-ethyl-1-(2-ethylphenyl)prop-2-yn-1-amine
SMILESC#CC(NCC)c1ccccc1CC
InChIInChI=1S/C13H17N/c1-4-11-9-7-8-10-12(11)13(5-2)14-6-3/h2,7-10,13-14H,4,6H2,1,3H3
InChIKeyIVJNDEOEDXZCBC-UHFFFAOYSA-N
XLogP2.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(2-ethylphenyl)ethanamine
CID 115781037
N-ethyl-1-(2-ethylphenyl)-2,2-dimethylpropan-1-amine
CID 115854373
N-ethylethanamine;1-ethyl-2-[1,2,2-tris(2-ethylphenyl)ethyl]benzene
CID 67736887
1-(2-bromo-5-fluorophenyl)-N-ethylprop-2-yn-1-amine
CID 104995612
N-ethyl-1-(2-ethylphenyl)-5-methylhexan-1-amine
CID 105028868
2-(2-chlorophenyl)-2-(ethylamino)acetonitrile
CID 25213809
N-ethyl-1-(3-iodophenyl)prop-2-yn-1-amine
CID 104995826
1-(4-chloro-2-methoxyphenyl)-N-ethylprop-2-yn-1-amine
CID 104995481
2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile
CID 62414881
N-[(2,3-difluoro-4-methylphenyl)-(2-ethylphenyl)methyl]ethanamine
CID 107515358
1-[2-bromo-5-(trifluoromethyl)phenyl]-N-ethylprop-2-yn-1-amine
CID 104995389
1-(2-bromophenyl)-N-ethylbut-3-yn-1-amine
CID 62234979

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-ethylphenyl)prop-2-yn-1-amine?
The IUPAC name of N-ethyl-1-(2-ethylphenyl)prop-2-yn-1-amine (CID 104995728) is N-ethyl-1-(2-ethylphenyl)prop-2-yn-1-amine.
What is the SMILES notation for N-ethyl-1-(2-ethylphenyl)prop-2-yn-1-amine?
The canonical SMILES for N-ethyl-1-(2-ethylphenyl)prop-2-yn-1-amine is C#CC(NCC)c1ccccc1CC.
What is the InChIKey of N-ethyl-1-(2-ethylphenyl)prop-2-yn-1-amine?
The InChIKey is IVJNDEOEDXZCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-4-11-9-7-8-10-12(11)13(5-2)14-6-3/h2,7-10,13-14H,4,6H2,1,3H3.
What are the key properties of N-ethyl-1-(2-ethylphenyl)prop-2-yn-1-amine?
N-ethyl-1-(2-ethylphenyl)prop-2-yn-1-amine has a molecular weight of 187.29 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-ethylphenyl)prop-2-yn-1-amine is sourced from PubChem (CID 104995728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).