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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Nortriptyline
CID 4543
Methamphetamine
CID 10836
Mephentermine
CID 3677
Protriptyline
CID 4976
Nortriptyline Hydrochloride
CID 441358
Levmetamfetamine
CID 36604
Protriptyline Hydrochloride
CID 6603149
N-Methylbenzeneethanamine
CID 11503
Terodiline
CID 23480
(+)-Methamphetamine hydrochloride
CID 66124
4-Benzylpiperidine
CID 31738
N-Ethylamphetamine
CID 9982

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).