1-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylmethanamine

C14H13BrClN — CID 43481456

IUPAC1-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1)c1ccccc1Br
InChIInChI=1S/C14H13BrClN/c1-17-14(10-6-8-11(16)9-7-10)12-4-2-3-5-13(12)15/h2-9,14,17H,1H3
InChIKeyPPVOKYGBPFSSSW-UHFFFAOYSA-N
MW310.62 g/mol
LogP4.41
Rot. Bonds3

About 1-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylmethanamine

1-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylmethanamine (PubChem CID 43481456) has the molecular formula C14H13BrClN and a molecular weight of 310.62 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylmethanamine
PubChem CID43481456
Molecular FormulaC14H13BrClN
Molecular Weight310.62 g/mol
Exact Mass308.99
IUPAC Name1-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1)c1ccccc1Br
InChIInChI=1S/C14H13BrClN/c1-17-14(10-6-8-11(16)9-7-10)12-4-2-3-5-13(12)15/h2-9,14,17H,1H3
InChIKeyPPVOKYGBPFSSSW-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.62
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 43486700
1-(3-bromo-4-fluorophenyl)-1-(2-bromophenyl)-N-methylmethanamine
CID 79746439
1-(2-bromo-5-methylphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 81109537
1-(2-bromophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 63417166
1-(2-bromophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 55079167
1-(3-bromo-4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 115567194
1-(4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43481401
1-(2-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43561945
1-(3-bromo-2-chlorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 115811933
2-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 60817908
1-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43481413
[(2-bromophenyl)-(3-chloro-4-methylphenyl)methyl]hydrazine
CID 107562324

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylmethanamine (CID 43481456) is 1-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylmethanamine is CNC(c1ccc(Cl)cc1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylmethanamine?
The InChIKey is PPVOKYGBPFSSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN/c1-17-14(10-6-8-11(16)9-7-10)12-4-2-3-5-13(12)15/h2-9,14,17H,1H3.
What are the key properties of 1-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylmethanamine?
1-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylmethanamine has a molecular weight of 310.62 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 43481456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).