N-bromo-1-(2,4-dichloro-3-methylphenyl)-N-methylmethanamine

C9H10BrCl2N — CID 135244904

IUPACN-bromo-1-(2,4-dichloro-3-methylphenyl)-N-methylmethanamine
SMILESCc1c(Cl)ccc(CN(C)Br)c1Cl
InChIInChI=1S/C9H10BrCl2N/c1-6-8(11)4-3-7(9(6)12)5-13(2)10/h3-4H,5H2,1-2H3
InChIKeyGQGMFLCPOYKVTI-UHFFFAOYSA-N
MW283.00 g/mol
LogP4.04
Rot. Bonds2

About N-bromo-1-(2,4-dichloro-3-methylphenyl)-N-methylmethanamine

N-bromo-1-(2,4-dichloro-3-methylphenyl)-N-methylmethanamine (PubChem CID 135244904) has the molecular formula C9H10BrCl2N and a molecular weight of 283.00 g/mol. Its IUPAC name is N-bromo-1-(2,4-dichloro-3-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-bromo-1-(2,4-dichloro-3-methylphenyl)-N-methylmethanamine
PubChem CID135244904
Molecular FormulaC9H10BrCl2N
Molecular Weight283.00 g/mol
Exact Mass280.94
IUPAC NameN-bromo-1-(2,4-dichloro-3-methylphenyl)-N-methylmethanamine
SMILESCc1c(Cl)ccc(CN(C)Br)c1Cl
InChIInChI=1S/C9H10BrCl2N/c1-6-8(11)4-3-7(9(6)12)5-13(2)10/h3-4H,5H2,1-2H3
InChIKeyGQGMFLCPOYKVTI-UHFFFAOYSA-N
XLogP4.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.00
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-4-chloro-2-methylphenyl)methanol
CID 131627539
1,3-dichloro-4-fluoro-2-methylbenzene
CID 11830014
1-chloro-3-fluoro-4-(fluoromethyl)-2-methylbenzene
CID 131213999
2-(4-chloro-2,3-dimethylphenyl)acetic acid
CID 66771246
1-chloro-2-methyl-3,4-dipropylbenzene
CID 143014391
N-(2,4-dichloro-3-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 22113013
1-(3-bromo-2-chlorophenyl)-N,N-dimethylmethanamine
CID 135395590
1-(bromomethyl)-4-chloro-3-methyl-2-nitrobenzene
CID 131028162
1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine
CID 130557512
3-chloro-4-[(dimethylamino)methyl]aniline;dihydrochloride
CID 52983627
1-[(2-chloro-4-methylphenyl)methyl]-1-methylhydrazine
CID 142181266
2,4-dichloro-3-methylbenzoyl chloride
CID 13235952

Frequently Asked Questions

What is the IUPAC name of N-bromo-1-(2,4-dichloro-3-methylphenyl)-N-methylmethanamine?
The IUPAC name of N-bromo-1-(2,4-dichloro-3-methylphenyl)-N-methylmethanamine (CID 135244904) is N-bromo-1-(2,4-dichloro-3-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for N-bromo-1-(2,4-dichloro-3-methylphenyl)-N-methylmethanamine?
The canonical SMILES for N-bromo-1-(2,4-dichloro-3-methylphenyl)-N-methylmethanamine is Cc1c(Cl)ccc(CN(C)Br)c1Cl.
What is the InChIKey of N-bromo-1-(2,4-dichloro-3-methylphenyl)-N-methylmethanamine?
The InChIKey is GQGMFLCPOYKVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrCl2N/c1-6-8(11)4-3-7(9(6)12)5-13(2)10/h3-4H,5H2,1-2H3.
What are the key properties of N-bromo-1-(2,4-dichloro-3-methylphenyl)-N-methylmethanamine?
N-bromo-1-(2,4-dichloro-3-methylphenyl)-N-methylmethanamine has a molecular weight of 283.00 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-1-(2,4-dichloro-3-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 135244904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).