1-(3-bromo-4-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine

C15H15BrClNO — CID 43479980

IUPAC1-(3-bromo-4-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1)c1ccc(OC)c(Br)c1
InChIInChI=1S/C15H15BrClNO/c1-18-15(10-3-6-12(17)7-4-10)11-5-8-14(19-2)13(16)9-11/h3-9,15,18H,1-2H3
InChIKeyLVCBJWGKDFZGIW-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.42
Rot. Bonds4

About 1-(3-bromo-4-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine

1-(3-bromo-4-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine (PubChem CID 43479980) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
PubChem CID43479980
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name1-(3-bromo-4-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1)c1ccc(OC)c(Br)c1
InChIInChI=1S/C15H15BrClNO/c1-18-15(10-3-6-12(17)7-4-10)11-5-8-14(19-2)13(16)9-11/h3-9,15,18H,1-2H3
InChIKeyLVCBJWGKDFZGIW-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

N-[(3-bromo-4-methoxyphenyl)-(4-chlorophenyl)methyl]propan-1-amine
CID 43493876
1-(3-bromo-4-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 43479903
1-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 43481405
1-(5-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)-N-methylmethanamine
CID 43479930
1-(3-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
CID 61034062
1-(3-bromo-4-methoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 43479966
1-(4-bromo-3-chlorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 81289992
1-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43481413
1-(3-bromo-4-methoxyphenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105046686
1-(5-bromofuran-2-yl)-1-(3-bromo-4-methoxyphenyl)-N-methylmethanamine
CID 43479896
1-(3-bromo-4-chlorophenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 115567230
1-(4-bromo-3-methylphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 105007011

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine (CID 43479980) is 1-(3-bromo-4-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine is CNC(c1ccc(Cl)cc1)c1ccc(OC)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine?
The InChIKey is LVCBJWGKDFZGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-18-15(10-3-6-12(17)7-4-10)11-5-8-14(19-2)13(16)9-11/h3-9,15,18H,1-2H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine?
1-(3-bromo-4-methoxyphenyl)-1-(4-chlorophenyl)-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-(3-bromo-4-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 43479980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).