3-methyl-1-(4-methylphenyl)but-3-en-2-amine

C12H17N — CID 79190743

IUPAC3-methyl-1-(4-methylphenyl)but-3-en-2-amine
SMILESC=C(C)C(N)Cc1ccc(C)cc1
InChIInChI=1S/C12H17N/c1-9(2)12(13)8-11-6-4-10(3)5-7-11/h4-7,12H,1,8,13H2,2-3H3
InChIKeyONRFTMOMKWBHDM-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.44
Rot. Bonds3

About 3-methyl-1-(4-methylphenyl)but-3-en-2-amine

3-methyl-1-(4-methylphenyl)but-3-en-2-amine (PubChem CID 79190743) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 3-methyl-1-(4-methylphenyl)but-3-en-2-amine.

Molecular Properties

Compound Name3-methyl-1-(4-methylphenyl)but-3-en-2-amine
PubChem CID79190743
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name3-methyl-1-(4-methylphenyl)but-3-en-2-amine
SMILESC=C(C)C(N)Cc1ccc(C)cc1
InChIInChI=1S/C12H17N/c1-9(2)12(13)8-11-6-4-10(3)5-7-11/h4-7,12H,1,8,13H2,2-3H3
InChIKeyONRFTMOMKWBHDM-UHFFFAOYSA-N
XLogP2.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.44
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-amino-3-(4-methylphenyl)propanamide
CID 18981163
2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide
CID 172898206
sodium;(2S)-2-amino-3-(4-methylphenyl)propanoic acid;hydroxide
CID 160538956
(2S)-2-amino-3-(4-methylphenyl)propan-1-ol
CID 28804561
methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 54763157
methyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate
CID 57296251
4-(2-amino-3-methylbut-3-enyl)phenol;ethane;pyridine
CID 143093265
1-methyl-4-[(2R)-2-prop-1-en-2-ylhexyl]benzene
CID 158829863
4-(2-amino-3-methylbut-3-enyl)-2-fluoroaniline
CID 143489299
1-(2,3-dimethylbut-3-enyl)-4-methylbenzene;ethane;1-ethyl-4-methylbenzene;2-methylprop-1-ene
CID 177337265
4-methyl-3-[(4-methylphenyl)methyl]pent-1-en-2-amine
CID 167120568
3-amino-5-methyl-1-(4-methylphenyl)hex-5-en-2-one
CID 174282572

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylphenyl)but-3-en-2-amine?
The IUPAC name of 3-methyl-1-(4-methylphenyl)but-3-en-2-amine (CID 79190743) is 3-methyl-1-(4-methylphenyl)but-3-en-2-amine.
What is the SMILES notation for 3-methyl-1-(4-methylphenyl)but-3-en-2-amine?
The canonical SMILES for 3-methyl-1-(4-methylphenyl)but-3-en-2-amine is C=C(C)C(N)Cc1ccc(C)cc1.
What is the InChIKey of 3-methyl-1-(4-methylphenyl)but-3-en-2-amine?
The InChIKey is ONRFTMOMKWBHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9(2)12(13)8-11-6-4-10(3)5-7-11/h4-7,12H,1,8,13H2,2-3H3.
What are the key properties of 3-methyl-1-(4-methylphenyl)but-3-en-2-amine?
3-methyl-1-(4-methylphenyl)but-3-en-2-amine has a molecular weight of 175.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylphenyl)but-3-en-2-amine is sourced from PubChem (CID 79190743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).