3-(2-bromo-4-chlorophenyl)-N-methylprop-2-en-1-amine

C10H11BrClN — CID 169474594

IUPAC3-(2-bromo-4-chlorophenyl)-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1ccc(Cl)cc1Br
InChIInChI=1S/C10H11BrClN/c1-13-6-2-3-8-4-5-9(12)7-10(8)11/h2-5,7,13H,6H2,1H3
InChIKeyGTYPKKCCAWUATC-UHFFFAOYSA-N
MW260.56 g/mol
LogP3.34
Rot. Bonds3

About 3-(2-bromo-4-chlorophenyl)-N-methylprop-2-en-1-amine

3-(2-bromo-4-chlorophenyl)-N-methylprop-2-en-1-amine (PubChem CID 169474594) has the molecular formula C10H11BrClN and a molecular weight of 260.56 g/mol. Its IUPAC name is 3-(2-bromo-4-chlorophenyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(2-bromo-4-chlorophenyl)-N-methylprop-2-en-1-amine
PubChem CID169474594
Molecular FormulaC10H11BrClN
Molecular Weight260.56 g/mol
Exact Mass258.98
IUPAC Name3-(2-bromo-4-chlorophenyl)-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1ccc(Cl)cc1Br
InChIInChI=1S/C10H11BrClN/c1-13-6-2-3-8-4-5-9(12)7-10(8)11/h2-5,7,13H,6H2,1H3
InChIKeyGTYPKKCCAWUATC-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.56
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-(4-chloro-2-fluorophenyl)-N-methylprop-2-en-1-amine
CID 114867476
N-[3-(2-bromo-4-chlorophenyl)prop-2-enyl]acetamide
CID 169466504
methyl 3-bromo-4-[3-(methylamino)prop-1-enyl]benzoate
CID 169474662
3-(2-chloro-4-fluorophenyl)-N-methylprop-2-en-1-amine
CID 169473168
3-(5-chloro-2-nitrophenyl)-N-methylprop-2-en-1-amine
CID 169473983
4-bromo-3-[3-(methylamino)prop-1-enyl]phenol
CID 169474804
5-bromo-2-[3-(methylamino)prop-1-enyl]phenol
CID 169474606
3-(4-bromo-2-ethylphenyl)-N-methylprop-2-en-1-amine
CID 169474633
(E)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine
CID 54775827
4-fluoro-3-[3-(methylamino)prop-1-enyl]aniline
CID 169473282
2-bromo-4-chlorobenzaldehyde;methyl (E)-3-(2-bromo-4-chlorophenyl)prop-2-enoate
CID 158910064
(E)-4-(2-bromo-4-chlorophenyl)-2-oxobut-3-enoic acid
CID 103200213

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-chlorophenyl)-N-methylprop-2-en-1-amine?
The IUPAC name of 3-(2-bromo-4-chlorophenyl)-N-methylprop-2-en-1-amine (CID 169474594) is 3-(2-bromo-4-chlorophenyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 3-(2-bromo-4-chlorophenyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 3-(2-bromo-4-chlorophenyl)-N-methylprop-2-en-1-amine is CNCC=Cc1ccc(Cl)cc1Br.
What is the InChIKey of 3-(2-bromo-4-chlorophenyl)-N-methylprop-2-en-1-amine?
The InChIKey is GTYPKKCCAWUATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN/c1-13-6-2-3-8-4-5-9(12)7-10(8)11/h2-5,7,13H,6H2,1H3.
What are the key properties of 3-(2-bromo-4-chlorophenyl)-N-methylprop-2-en-1-amine?
3-(2-bromo-4-chlorophenyl)-N-methylprop-2-en-1-amine has a molecular weight of 260.56 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-chlorophenyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 169474594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).