1-(2-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine

C15H15BrClNO — CID 43561945

IUPAC1-(2-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)cc1Cl)c1ccccc1Br
InChIInChI=1S/C15H15BrClNO/c1-18-15(11-5-3-4-6-13(11)16)12-8-7-10(19-2)9-14(12)17/h3-9,15,18H,1-2H3
InChIKeyVPLJSXLGVRCGDR-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.42
Rot. Bonds4

About 1-(2-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine

1-(2-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine (PubChem CID 43561945) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
PubChem CID43561945
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name1-(2-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)cc1Cl)c1ccccc1Br
InChIInChI=1S/C15H15BrClNO/c1-18-15(11-5-3-4-6-13(11)16)12-8-7-10(19-2)9-14(12)17/h3-9,15,18H,1-2H3
InChIKeyVPLJSXLGVRCGDR-UHFFFAOYSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-chlorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 107998666
1-(2-chloro-4-methoxyphenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 43561902
1-(3-bromothiophen-2-yl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 63796523
1-(2-chloro-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 62504560
1-(2-chloro-4-methoxyphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 43561947
1-(2-bromo-4-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 60788480
1-(2-bromophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 43486700
1-(2-chloro-4-methoxyphenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 43561906
1-(2-bromophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 63417166
1-(2-chloro-6-fluorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43561896
1-(2-chloro-4-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 43561996
1-(2-chloro-4-methoxyphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 79215110

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine (CID 43561945) is 1-(2-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine is CNC(c1ccc(OC)cc1Cl)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is VPLJSXLGVRCGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-18-15(11-5-3-4-6-13(11)16)12-8-7-10(19-2)9-14(12)17/h3-9,15,18H,1-2H3.
What are the key properties of 1-(2-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine?
1-(2-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 340.65 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 43561945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).