3-(3-bromo-5-methylphenyl)-N-methylprop-2-en-1-amine

C11H14BrN — CID 169474790

IUPAC3-(3-bromo-5-methylphenyl)-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1cc(C)cc(Br)c1
InChIInChI=1S/C11H14BrN/c1-9-6-10(4-3-5-13-2)8-11(12)7-9/h3-4,6-8,13H,5H2,1-2H3
InChIKeyCGAFCIKISHAEGQ-UHFFFAOYSA-N
MW240.14 g/mol
LogP2.99
Rot. Bonds3

About 3-(3-bromo-5-methylphenyl)-N-methylprop-2-en-1-amine

3-(3-bromo-5-methylphenyl)-N-methylprop-2-en-1-amine (PubChem CID 169474790) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 3-(3-bromo-5-methylphenyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(3-bromo-5-methylphenyl)-N-methylprop-2-en-1-amine
PubChem CID169474790
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name3-(3-bromo-5-methylphenyl)-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1cc(C)cc(Br)c1
InChIInChI=1S/C11H14BrN/c1-9-6-10(4-3-5-13-2)8-11(12)7-9/h3-4,6-8,13H,5H2,1-2H3
InChIKeyCGAFCIKISHAEGQ-UHFFFAOYSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

3-methyl-5-[3-(methylamino)prop-1-enyl]aniline
CID 169473325
3-(4-fluoro-3,5-dimethylphenyl)-N-methylprop-2-en-1-amine
CID 169473418
4-(3-fluoro-5-methylphenyl)-N-methylbut-3-en-1-amine
CID 79705493
9H-fluoren-9-ylmethyl N-[3-(3-bromo-5-methylphenyl)prop-2-enyl]carbamate
CID 169470820
3-(2,6-dichloro-4-pyridinyl)-N-methylprop-2-en-1-amine
CID 169474620
3-(3,5-dichloro-4-fluorophenyl)-N-methylprop-2-en-1-amine
CID 169473411
5-bromo-2-[3-(methylamino)prop-1-enyl]phenol
CID 169474606
3-bromo-5-methylbenzaldehyde;ethane-1,2-diol
CID 175049873
3-fluoro-5-[3-(methylamino)prop-1-enyl]benzaldehyde
CID 169473500
3-fluoro-5-[3-(methylamino)prop-1-enyl]phenol
CID 169473191
3-fluoro-5-[3-(methylamino)prop-1-enyl]aniline
CID 169473286
2,4-dimethyl-6-[3-(methylamino)prop-1-enyl]aniline
CID 169473623

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-methylphenyl)-N-methylprop-2-en-1-amine?
The IUPAC name of 3-(3-bromo-5-methylphenyl)-N-methylprop-2-en-1-amine (CID 169474790) is 3-(3-bromo-5-methylphenyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 3-(3-bromo-5-methylphenyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 3-(3-bromo-5-methylphenyl)-N-methylprop-2-en-1-amine is CNCC=Cc1cc(C)cc(Br)c1.
What is the InChIKey of 3-(3-bromo-5-methylphenyl)-N-methylprop-2-en-1-amine?
The InChIKey is CGAFCIKISHAEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-9-6-10(4-3-5-13-2)8-11(12)7-9/h3-4,6-8,13H,5H2,1-2H3.
What are the key properties of 3-(3-bromo-5-methylphenyl)-N-methylprop-2-en-1-amine?
3-(3-bromo-5-methylphenyl)-N-methylprop-2-en-1-amine has a molecular weight of 240.14 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-methylphenyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 169474790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).