1-(3-bromo-5-chlorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine

C17H19BrClN — CID 107946026

IUPAC1-(3-bromo-5-chlorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
SMILESCNC(c1cc(Cl)cc(Br)c1)c1cc(C)c(C)cc1C
InChIInChI=1S/C17H19BrClN/c1-10-5-12(3)16(6-11(10)2)17(20-4)13-7-14(18)9-15(19)8-13/h5-9,17,20H,1-4H3
InChIKeyCNZZGWTYZBQSMM-UHFFFAOYSA-N
MW352.70 g/mol
LogP5.34
Rot. Bonds3

About 1-(3-bromo-5-chlorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine

1-(3-bromo-5-chlorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine (PubChem CID 107946026) has the molecular formula C17H19BrClN and a molecular weight of 352.70 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
PubChem CID107946026
Molecular FormulaC17H19BrClN
Molecular Weight352.70 g/mol
Exact Mass351.04
IUPAC Name1-(3-bromo-5-chlorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
SMILESCNC(c1cc(Cl)cc(Br)c1)c1cc(C)c(C)cc1C
InChIInChI=1S/C17H19BrClN/c1-10-5-12(3)16(6-11(10)2)17(20-4)13-7-14(18)9-15(19)8-13/h5-9,17,20H,1-4H3
InChIKeyCNZZGWTYZBQSMM-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.70
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 107945587
1-(3-bromo-5-chlorophenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 107947096
1-(3-bromo-5-chlorophenyl)-1-(4-bromo-2,5-difluorophenyl)-N-methylmethanamine
CID 107950619
N-[(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methyl]ethanamine
CID 107950635
1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
CID 107950722
1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 107951008
1-(3-bromo-5-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 107946612
1-(3-bromo-5-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 107944932
1-(3,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64990005
N-methyl-1-(3,4,5-trifluorophenyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 64990056
1-[bromo-(3-bromo-5-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 107959104
1-(3-bromo-5-chlorophenyl)-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 107950904

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine (CID 107946026) is 1-(3-bromo-5-chlorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine is CNC(c1cc(Cl)cc(Br)c1)c1cc(C)c(C)cc1C.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine?
The InChIKey is CNZZGWTYZBQSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClN/c1-10-5-12(3)16(6-11(10)2)17(20-4)13-7-14(18)9-15(19)8-13/h5-9,17,20H,1-4H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine?
1-(3-bromo-5-chlorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine has a molecular weight of 352.70 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine is sourced from PubChem (CID 107946026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).