N-ethyl-2-methyl-2-[(2-methylphenyl)methyl]but-3-en-1-amine

C15H23N — CID 102640742

IUPACN-ethyl-2-methyl-2-[(2-methylphenyl)methyl]but-3-en-1-amine
SMILESC=CC(C)(CNCC)Cc1ccccc1C
InChIInChI=1S/C15H23N/c1-5-15(4,12-16-6-2)11-14-10-8-7-9-13(14)3/h5,7-10,16H,1,6,11-12H2,2-4H3
InChIKeyOBTKQXVSZKQKFC-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.34
Rot. Bonds6

About N-ethyl-2-methyl-2-[(2-methylphenyl)methyl]but-3-en-1-amine

N-ethyl-2-methyl-2-[(2-methylphenyl)methyl]but-3-en-1-amine (PubChem CID 102640742) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-ethyl-2-methyl-2-[(2-methylphenyl)methyl]but-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-2-[(2-methylphenyl)methyl]but-3-en-1-amine
PubChem CID102640742
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-ethyl-2-methyl-2-[(2-methylphenyl)methyl]but-3-en-1-amine
SMILESC=CC(C)(CNCC)Cc1ccccc1C
InChIInChI=1S/C15H23N/c1-5-15(4,12-16-6-2)11-14-10-8-7-9-13(14)3/h5,7-10,16H,1,6,11-12H2,2-4H3
InChIKeyOBTKQXVSZKQKFC-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbut-3-en-1-amine
CID 102641068
1-[2-(chloromethyl)-2-methylbut-3-enyl]-2-methylbenzene
CID 102642000
2-[(2,5-dichlorophenyl)methyl]-N-ethyl-2-methylbut-3-en-1-amine
CID 102640703
1-(2,2-dimethylpropyl)-2-methylbenzene
CID 21464495
2,2-dimethyl-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 62723929
2-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-N-propylbut-3-en-1-amine
CID 102859325
2-(1-benzothiophen-3-ylmethyl)-2-methyl-N-propylbut-3-en-1-amine
CID 102640890
2-[(2-chloro-3-fluorophenyl)methyl]-2-methyl-N-propylbut-3-en-1-amine
CID 102640860
2-[2-(2-ethoxyphenoxy)ethyl]-N-ethyl-2-methylbut-3-en-1-amine
CID 102640724
(Z)-N-ethyl-2-methyl-2-(2-methylphenyl)pent-3-en-1-amine
CID 71002555
N-[(2-methylphenyl)methyl]ethanamine;hydrochloride
CID 17293898
2-ethenyl-N-ethyl-2-methylpentan-1-amine
CID 102640736

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-2-[(2-methylphenyl)methyl]but-3-en-1-amine?
The IUPAC name of N-ethyl-2-methyl-2-[(2-methylphenyl)methyl]but-3-en-1-amine (CID 102640742) is N-ethyl-2-methyl-2-[(2-methylphenyl)methyl]but-3-en-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-2-[(2-methylphenyl)methyl]but-3-en-1-amine?
The canonical SMILES for N-ethyl-2-methyl-2-[(2-methylphenyl)methyl]but-3-en-1-amine is C=CC(C)(CNCC)Cc1ccccc1C.
What is the InChIKey of N-ethyl-2-methyl-2-[(2-methylphenyl)methyl]but-3-en-1-amine?
The InChIKey is OBTKQXVSZKQKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-5-15(4,12-16-6-2)11-14-10-8-7-9-13(14)3/h5,7-10,16H,1,6,11-12H2,2-4H3.
What are the key properties of N-ethyl-2-methyl-2-[(2-methylphenyl)methyl]but-3-en-1-amine?
N-ethyl-2-methyl-2-[(2-methylphenyl)methyl]but-3-en-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-2-[(2-methylphenyl)methyl]but-3-en-1-amine is sourced from PubChem (CID 102640742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).