4,4-bis(3-methylphenyl)but-3-en-2-amine

C18H21N — CID 12821410

IUPAC4,4-bis(3-methylphenyl)but-3-en-2-amine
SMILESCc1cccc(C(=CC(C)N)c2cccc(C)c2)c1
InChIInChI=1S/C18H21N/c1-13-6-4-8-16(10-13)18(12-15(3)19)17-9-5-7-14(2)11-17/h4-12,15H,19H2,1-3H3
InChIKeyQICOZWKXGLCMSN-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.08
Rot. Bonds3

About 4,4-bis(3-methylphenyl)but-3-en-2-amine

4,4-bis(3-methylphenyl)but-3-en-2-amine (PubChem CID 12821410) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 4,4-bis(3-methylphenyl)but-3-en-2-amine.

Molecular Properties

Compound Name4,4-bis(3-methylphenyl)but-3-en-2-amine
PubChem CID12821410
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name4,4-bis(3-methylphenyl)but-3-en-2-amine
SMILESCc1cccc(C(=CC(C)N)c2cccc(C)c2)c1
InChIInChI=1S/C18H21N/c1-13-6-4-8-16(10-13)18(12-15(3)19)17-9-5-7-14(2)11-17/h4-12,15H,19H2,1-3H3
InChIKeyQICOZWKXGLCMSN-UHFFFAOYSA-N
XLogP4.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-(1-phenylprop-1-enyl)benzene
CID 54065155
3-methylbenzamide;2-methylpropane
CID 160767336
(3-methylbenzoyl)azanium
CID 153183849
ethyl (Z)-3-(3-methylphenyl)-3-phenylprop-2-enoate
CID 11414453
2-methyl-3-(3-methylphenyl)-3-oxopropanamide
CID 121217094
N-(2-aminopropyl)-3-methylbenzamide
CID 63733332
bis(3-methylphenyl)methanone
CID 17848
1,2-bis(3-methylphenyl)ethene-1,2-dithiol
CID 76563900
3-methyl-1-(3-methylphenyl)butane-1,2-dione
CID 83697695
ethane;methanamine;3-methoxy-2,3-dimethylbutan-2-ol;1-methyl-3-[(E)-1-phenyl-3-(4-phenylphenyl)but-1-enyl]benzene
CID 142293666
3-methylbenzoic acid
CID 7418
N'-hydroxy-3-methylbenzenecarboximidamide
CID 162202893

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(3-methylphenyl)but-3-en-2-amine?
The IUPAC name of 4,4-bis(3-methylphenyl)but-3-en-2-amine (CID 12821410) is 4,4-bis(3-methylphenyl)but-3-en-2-amine.
What is the SMILES notation for 4,4-bis(3-methylphenyl)but-3-en-2-amine?
The canonical SMILES for 4,4-bis(3-methylphenyl)but-3-en-2-amine is Cc1cccc(C(=CC(C)N)c2cccc(C)c2)c1.
What is the InChIKey of 4,4-bis(3-methylphenyl)but-3-en-2-amine?
The InChIKey is QICOZWKXGLCMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-13-6-4-8-16(10-13)18(12-15(3)19)17-9-5-7-14(2)11-17/h4-12,15H,19H2,1-3H3.
What are the key properties of 4,4-bis(3-methylphenyl)but-3-en-2-amine?
4,4-bis(3-methylphenyl)but-3-en-2-amine has a molecular weight of 251.37 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(3-methylphenyl)but-3-en-2-amine is sourced from PubChem (CID 12821410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).