N-(2-bromoprop-2-enyl)-2-chloro-5-methylaniline

C10H11BrClN — CID 107634618

IUPACN-(2-bromoprop-2-enyl)-2-chloro-5-methylaniline
SMILESC=C(Br)CNc1cc(C)ccc1Cl
InChIInChI=1S/C10H11BrClN/c1-7-3-4-9(12)10(5-7)13-6-8(2)11/h3-5,13H,2,6H2,1H3
InChIKeyIRYYRSYWTROMBL-UHFFFAOYSA-N
MW260.56 g/mol
LogP3.97
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-2-chloro-5-methylaniline

N-(2-bromoprop-2-enyl)-2-chloro-5-methylaniline (PubChem CID 107634618) has the molecular formula C10H11BrClN and a molecular weight of 260.56 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-chloro-5-methylaniline.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-chloro-5-methylaniline
PubChem CID107634618
Molecular FormulaC10H11BrClN
Molecular Weight260.56 g/mol
Exact Mass258.98
IUPAC NameN-(2-bromoprop-2-enyl)-2-chloro-5-methylaniline
SMILESC=C(Br)CNc1cc(C)ccc1Cl
InChIInChI=1S/C10H11BrClN/c1-7-3-4-9(12)10(5-7)13-6-8(2)11/h3-5,13H,2,6H2,1H3
InChIKeyIRYYRSYWTROMBL-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-5-methylanilino)acetic acid
CID 103691548
2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)acetamide
CID 103768034
ethyl 2-(2-chloro-5-methylanilino)acetate
CID 103768009
(2S)-1-(2-chloro-5-methylanilino)propan-2-ol
CID 107634835
N-(2-bromoprop-2-enyl)-4-methyl-2-nitroaniline
CID 115671735
2-(2-chloro-5-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 107634645
2-(2-chloro-5-methylanilino)-N-(4-fluorophenyl)acetamide
CID 103768049
N-(2-bromoprop-2-enyl)-5-chloro-2-fluoroaniline
CID 60873202
2-chloro-N-hept-6-enyl-5-methylaniline
CID 107634399
1-(2-chloro-5-methylanilino)butan-2-ol
CID 107634619
2-bromo-N-(2-chloro-5-methylphenyl)acetamide
CID 82111012
N-benzyl-2-chloro-5-methylaniline
CID 83290853

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-chloro-5-methylaniline?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-chloro-5-methylaniline (CID 107634618) is N-(2-bromoprop-2-enyl)-2-chloro-5-methylaniline.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-chloro-5-methylaniline?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-chloro-5-methylaniline is C=C(Br)CNc1cc(C)ccc1Cl.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-chloro-5-methylaniline?
The InChIKey is IRYYRSYWTROMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN/c1-7-3-4-9(12)10(5-7)13-6-8(2)11/h3-5,13H,2,6H2,1H3.
What are the key properties of N-(2-bromoprop-2-enyl)-2-chloro-5-methylaniline?
N-(2-bromoprop-2-enyl)-2-chloro-5-methylaniline has a molecular weight of 260.56 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2-chloro-5-methylaniline is sourced from PubChem (CID 107634618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).