1-(3-bromo-4-chlorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine

C16H17BrClNO — CID 115567055

IUPAC1-(3-bromo-4-chlorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(Br)c1)c1ccc(OC)cc1C
InChIInChI=1S/C16H17BrClNO/c1-10-8-12(20-3)5-6-13(10)16(19-2)11-4-7-15(18)14(17)9-11/h4-9,16,19H,1-3H3
InChIKeyOBLISLKZGCVTAY-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.73
Rot. Bonds4

About 1-(3-bromo-4-chlorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine

1-(3-bromo-4-chlorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine (PubChem CID 115567055) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
PubChem CID115567055
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC Name1-(3-bromo-4-chlorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(Br)c1)c1ccc(OC)cc1C
InChIInChI=1S/C16H17BrClNO/c1-10-8-12(20-3)5-6-13(10)16(19-2)11-4-7-15(18)14(17)9-11/h4-9,16,19H,1-3H3
InChIKeyOBLISLKZGCVTAY-UHFFFAOYSA-N
XLogP4.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.73
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-(3-chloro-4-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 63194536
1-(3-bromo-4-chlorophenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 115567230
1-(4-chloro-3-fluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 107992337
1-(2,5-dichlorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 43482843
1-(3-chloro-5-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 81323002
N-[(3-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 107998668
1-(3-chloro-4-methylphenyl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 63194662
[(3-bromo-4-chlorophenyl)-(4-methoxyphenyl)methyl]hydrazine
CID 105260984
1-(2-bromo-5-methoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 105095539
1-(3-bromo-4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 115567194
1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 81110285

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine (CID 115567055) is 1-(3-bromo-4-chlorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine is CNC(c1ccc(Cl)c(Br)c1)c1ccc(OC)cc1C.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine?
The InChIKey is OBLISLKZGCVTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO/c1-10-8-12(20-3)5-6-13(10)16(19-2)11-4-7-15(18)14(17)9-11/h4-9,16,19H,1-3H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine?
1-(3-bromo-4-chlorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine has a molecular weight of 354.68 g/mol, XLogP of 4.73, 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-chlorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 115567055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).