1-(4-bromo-2-chlorophenyl)-N-methyl-1-phenylmethanamine

C14H13BrClN — CID 43805215

IUPAC1-(4-bromo-2-chlorophenyl)-N-methyl-1-phenylmethanamine
SMILESCNC(c1ccccc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H13BrClN/c1-17-14(10-5-3-2-4-6-10)12-8-7-11(15)9-13(12)16/h2-9,14,17H,1H3
InChIKeyWEBMTLKTQRLWTD-UHFFFAOYSA-N
MW310.62 g/mol
LogP4.41
Rot. Bonds3

About 1-(4-bromo-2-chlorophenyl)-N-methyl-1-phenylmethanamine

1-(4-bromo-2-chlorophenyl)-N-methyl-1-phenylmethanamine (PubChem CID 43805215) has the molecular formula C14H13BrClN and a molecular weight of 310.62 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N-methyl-1-phenylmethanamine
PubChem CID43805215
Molecular FormulaC14H13BrClN
Molecular Weight310.62 g/mol
Exact Mass308.99
IUPAC Name1-(4-bromo-2-chlorophenyl)-N-methyl-1-phenylmethanamine
SMILESCNC(c1ccccc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H13BrClN/c1-17-14(10-5-3-2-4-6-10)12-8-7-11(15)9-13(12)16/h2-9,14,17H,1H3
InChIKeyWEBMTLKTQRLWTD-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-(4-bromo-2-chlorophenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43805217
(1S)-1-(2-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine
CID 51694296
1-(4-bromo-2-chlorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43805207
1-(4-bromo-2-chlorophenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 105006762
1-(4-bromo-2-chlorophenyl)-1-(4-butylphenyl)-N-methylmethanamine
CID 43805236
1-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine
CID 80535100
1-(2-chloro-4-methylphenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 106857074
N-[(5-bromo-2-chlorophenyl)-phenylmethyl]ethanamine
CID 43489055
1-(4-bromo-2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 79725078
1-(4-bromo-2-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020044
1-(4-bromo-2-methylphenyl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine
CID 115483839
1-(4-bromo-2-methylphenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 107560807

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-methyl-1-phenylmethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-methyl-1-phenylmethanamine (CID 43805215) is 1-(4-bromo-2-chlorophenyl)-N-methyl-1-phenylmethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N-methyl-1-phenylmethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N-methyl-1-phenylmethanamine is CNC(c1ccccc1)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N-methyl-1-phenylmethanamine?
The InChIKey is WEBMTLKTQRLWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN/c1-17-14(10-5-3-2-4-6-10)12-8-7-11(15)9-13(12)16/h2-9,14,17H,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N-methyl-1-phenylmethanamine?
1-(4-bromo-2-chlorophenyl)-N-methyl-1-phenylmethanamine 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-(4-bromo-2-chlorophenyl)-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 43805215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).