2-bromo-N-[(4-methylphenyl)methyl]prop-2-en-1-amine

C11H14BrN — CID 13430243

IUPAC2-bromo-N-[(4-methylphenyl)methyl]prop-2-en-1-amine
SMILESC=C(Br)CNCc1ccc(C)cc1
InChIInChI=1S/C11H14BrN/c1-9-3-5-11(6-4-9)8-13-7-10(2)12/h3-6,13H,2,7-8H2,1H3
InChIKeyJEOWOYDHMHPGEY-UHFFFAOYSA-N
MW240.14 g/mol
LogP2.99
Rot. Bonds4

About 2-bromo-N-[(4-methylphenyl)methyl]prop-2-en-1-amine

2-bromo-N-[(4-methylphenyl)methyl]prop-2-en-1-amine (PubChem CID 13430243) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 2-bromo-N-[(4-methylphenyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-bromo-N-[(4-methylphenyl)methyl]prop-2-en-1-amine
PubChem CID13430243
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name2-bromo-N-[(4-methylphenyl)methyl]prop-2-en-1-amine
SMILESC=C(Br)CNCc1ccc(C)cc1
InChIInChI=1S/C11H14BrN/c1-9-3-5-11(6-4-9)8-13-7-10(2)12/h3-6,13H,2,7-8H2,1H3
InChIKeyJEOWOYDHMHPGEY-UHFFFAOYSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2-bromoprop-2-enylamino)methyl]-N,N-diethylaniline
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N-[(4-methylphenyl)methyl]ethanamine
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2-bromo-N-[(4-piperidin-1-ylphenyl)methyl]prop-2-en-1-amine
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1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine
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1-(4-methylphenyl)-2-[(4-methylphenyl)methylamino]ethanone
CID 82101223
2-bromo-N-[(3-chloro-4-fluorophenyl)methyl]prop-2-en-1-amine
CID 62537461
2-bromo-N-(pyrimidin-5-ylmethyl)prop-2-en-1-amine
CID 115614740
2-bromo-N-[(6-methyl-2-pyridinyl)methyl]prop-2-en-1-amine
CID 62322148
5-[(2-bromoprop-2-enylamino)methyl]-2-methoxybenzonitrile
CID 115653368
1-[2-[(4-methylphenyl)methylamino]ethylamino]propan-2-one
CID 21339507
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CID 115680068

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4-methylphenyl)methyl]prop-2-en-1-amine?
The IUPAC name of 2-bromo-N-[(4-methylphenyl)methyl]prop-2-en-1-amine (CID 13430243) is 2-bromo-N-[(4-methylphenyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-bromo-N-[(4-methylphenyl)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-bromo-N-[(4-methylphenyl)methyl]prop-2-en-1-amine is C=C(Br)CNCc1ccc(C)cc1.
What is the InChIKey of 2-bromo-N-[(4-methylphenyl)methyl]prop-2-en-1-amine?
The InChIKey is JEOWOYDHMHPGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-9-3-5-11(6-4-9)8-13-7-10(2)12/h3-6,13H,2,7-8H2,1H3.
What are the key properties of 2-bromo-N-[(4-methylphenyl)methyl]prop-2-en-1-amine?
2-bromo-N-[(4-methylphenyl)methyl]prop-2-en-1-amine has a molecular weight of 240.14 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(4-methylphenyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 13430243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).