3-(4-bromo-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine

C14H20BrN — CID 79340621

IUPAC3-(4-bromo-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
SMILESCC(=Cc1ccc(Br)c(C)c1)CNC(C)C
InChIInChI=1S/C14H20BrN/c1-10(2)16-9-11(3)7-13-5-6-14(15)12(4)8-13/h5-8,10,16H,9H2,1-4H3
InChIKeyUYPGHIQXNZTEEA-UHFFFAOYSA-N
MW282.23 g/mol
LogP4.16
Rot. Bonds4

About 3-(4-bromo-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine

3-(4-bromo-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine (PubChem CID 79340621) has the molecular formula C14H20BrN and a molecular weight of 282.23 g/mol. Its IUPAC name is 3-(4-bromo-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(4-bromo-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
PubChem CID79340621
Molecular FormulaC14H20BrN
Molecular Weight282.23 g/mol
Exact Mass281.08
IUPAC Name3-(4-bromo-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
SMILESCC(=Cc1ccc(Br)c(C)c1)CNC(C)C
InChIInChI=1S/C14H20BrN/c1-10(2)16-9-11(3)7-13-5-6-14(15)12(4)8-13/h5-8,10,16H,9H2,1-4H3
InChIKeyUYPGHIQXNZTEEA-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-fluoro-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79340617
3-(3-bromo-4-methoxyphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79340521
3-(4-bromo-3-methylphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79341442
2-[(4-bromo-3-methylphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine
CID 79338842
(E)-3-(3-bromo-4-methylphenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 105411808
(E)-4-(4-bromo-3-methylphenyl)-N-ethylbut-3-en-2-amine
CID 103092540
2-[(4-bromo-3-methylphenyl)methylidene]-N-methylbutan-1-amine
CID 79329977
(E)-4-(4-bromo-3-methylphenyl)but-3-en-2-amine
CID 103091622
2-methoxy-5-[2-methyl-3-(propan-2-ylamino)prop-1-enyl]benzonitrile
CID 79341030
(E)-3-(4-bromo-3-methylphenyl)prop-2-en-1-ol
CID 83537442
2-methyl-N-propan-2-yl-3-(3-propoxyphenyl)prop-2-en-1-amine
CID 79340094
2-[(4-bromo-3-methylphenyl)methylidene]-N-propylbutan-1-amine
CID 79329444

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 3-(4-bromo-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine (CID 79340621) is 3-(4-bromo-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 3-(4-bromo-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 3-(4-bromo-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine is CC(=Cc1ccc(Br)c(C)c1)CNC(C)C.
What is the InChIKey of 3-(4-bromo-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is UYPGHIQXNZTEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-10(2)16-9-11(3)7-13-5-6-14(15)12(4)8-13/h5-8,10,16H,9H2,1-4H3.
What are the key properties of 3-(4-bromo-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine?
3-(4-bromo-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 282.23 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 79340621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).