4-(3-methylphenyl)-N-(2-methylprop-2-enyl)butan-2-amine

C15H23N — CID 114615744

IUPAC4-(3-methylphenyl)-N-(2-methylprop-2-enyl)butan-2-amine
SMILESC=C(C)CNC(C)CCc1cccc(C)c1
InChIInChI=1S/C15H23N/c1-12(2)11-16-14(4)8-9-15-7-5-6-13(3)10-15/h5-7,10,14,16H,1,8-9,11H2,2-4H3
InChIKeyQBNMMTYUMBSZPZ-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.48
Rot. Bonds6

About 4-(3-methylphenyl)-N-(2-methylprop-2-enyl)butan-2-amine

4-(3-methylphenyl)-N-(2-methylprop-2-enyl)butan-2-amine (PubChem CID 114615744) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 4-(3-methylphenyl)-N-(2-methylprop-2-enyl)butan-2-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)-N-(2-methylprop-2-enyl)butan-2-amine
PubChem CID114615744
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name4-(3-methylphenyl)-N-(2-methylprop-2-enyl)butan-2-amine
SMILESC=C(C)CNC(C)CCc1cccc(C)c1
InChIInChI=1S/C15H23N/c1-12(2)11-16-14(4)8-9-15-7-5-6-13(3)10-15/h5-7,10,14,16H,1,8-9,11H2,2-4H3
InChIKeyQBNMMTYUMBSZPZ-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(3-methylphenyl)-N-(2-methylprop-2-enyl)butan-2-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

N-methyl-2-[4-(3-methylphenyl)butan-2-ylamino]acetamide
CID 61171893
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine
CID 63420680
4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine
CID 63420838
3-[4-(3-methylphenyl)butan-2-ylamino]propanoic acid
CID 61171891
4-(3-methylphenyl)-N-(2-prop-2-enoxyethyl)butan-2-amine
CID 113364661
(2R)-2-[4-(3-methylphenyl)butan-2-ylamino]propan-1-ol
CID 114987003
2-N,2-N-dimethyl-1-N-[4-(3-methylphenyl)butan-2-yl]propane-1,2-diamine
CID 61169167
N-[(2-ethylphenyl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 64680088
3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclobutan-1-ol
CID 66004794
N-(2-cyclopropylpropyl)-4-(3-methylphenyl)butan-2-amine
CID 113475005

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-N-(2-methylprop-2-enyl)butan-2-amine?
The IUPAC name of 4-(3-methylphenyl)-N-(2-methylprop-2-enyl)butan-2-amine (CID 114615744) is 4-(3-methylphenyl)-N-(2-methylprop-2-enyl)butan-2-amine.
What is the SMILES notation for 4-(3-methylphenyl)-N-(2-methylprop-2-enyl)butan-2-amine?
The canonical SMILES for 4-(3-methylphenyl)-N-(2-methylprop-2-enyl)butan-2-amine is C=C(C)CNC(C)CCc1cccc(C)c1.
What is the InChIKey of 4-(3-methylphenyl)-N-(2-methylprop-2-enyl)butan-2-amine?
The InChIKey is QBNMMTYUMBSZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-12(2)11-16-14(4)8-9-15-7-5-6-13(3)10-15/h5-7,10,14,16H,1,8-9,11H2,2-4H3.
What are the key properties of 4-(3-methylphenyl)-N-(2-methylprop-2-enyl)butan-2-amine?
4-(3-methylphenyl)-N-(2-methylprop-2-enyl)butan-2-amine has a molecular weight of 217.36 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-N-(2-methylprop-2-enyl)butan-2-amine is sourced from PubChem (CID 114615744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).