1-(3-bromo-4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine

C14H11BrCl3N — CID 115567194

IUPAC1-(3-bromo-4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(Br)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11BrCl3N/c1-19-14(8-2-4-13(18)11(15)6-8)10-7-9(16)3-5-12(10)17/h2-7,14,19H,1H3
InChIKeyPYEBDHYSGFEKTG-UHFFFAOYSA-N
MW379.51 g/mol
LogP5.72
Rot. Bonds3

About 1-(3-bromo-4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine

1-(3-bromo-4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine (PubChem CID 115567194) has the molecular formula C14H11BrCl3N and a molecular weight of 379.51 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
PubChem CID115567194
Molecular FormulaC14H11BrCl3N
Molecular Weight379.51 g/mol
Exact Mass376.91
IUPAC Name1-(3-bromo-4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(Br)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11BrCl3N/c1-19-14(8-2-4-13(18)11(15)6-8)10-7-9(16)3-5-12(10)17/h2-7,14,19H,1H3
InChIKeyPYEBDHYSGFEKTG-UHFFFAOYSA-N
XLogP5.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.51
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 115567213
1-(3-chloro-4-iodophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 103215149
1-(2-bromophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 43486700
1-(3-bromo-4-chlorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 107998666
1-(3-bromo-4-chlorophenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 115567230
1-(5-bromo-3-pyridinyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 43486642
1-(4-bromo-3-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 81291376
1-(3-bromo-4-chlorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 115567055
(1R)-1-(3-bromo-4-chlorophenyl)-N-methylethanamine
CID 130682400
1-(3-bromo-4-chlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 107998784
1-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43481456
1-(2-bromo-5-methylphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 81109537

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine (CID 115567194) is 1-(3-bromo-4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine is CNC(c1ccc(Cl)c(Br)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine?
The InChIKey is PYEBDHYSGFEKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl3N/c1-19-14(8-2-4-13(18)11(15)6-8)10-7-9(16)3-5-12(10)17/h2-7,14,19H,1H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine?
1-(3-bromo-4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine has a molecular weight of 379.51 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 115567194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).