1-(3-bromo-5-chlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine

C16H17BrClN — CID 107945351

IUPAC1-(3-bromo-5-chlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2cc(Cl)cc(Br)c2)cc1
InChIInChI=1S/C16H17BrClN/c1-3-11-4-6-12(7-5-11)16(19-2)13-8-14(17)10-15(18)9-13/h4-10,16,19H,3H2,1-2H3
InChIKeyNHYAFMXJUATQFS-UHFFFAOYSA-N
MW338.68 g/mol
LogP4.97
Rot. Bonds4

About 1-(3-bromo-5-chlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine

1-(3-bromo-5-chlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine (PubChem CID 107945351) has the molecular formula C16H17BrClN and a molecular weight of 338.68 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine
PubChem CID107945351
Molecular FormulaC16H17BrClN
Molecular Weight338.68 g/mol
Exact Mass337.02
IUPAC Name1-(3-bromo-5-chlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2cc(Cl)cc(Br)c2)cc1
InChIInChI=1S/C16H17BrClN/c1-3-11-4-6-12(7-5-11)16(19-2)13-8-14(17)10-15(18)9-13/h4-10,16,19H,3H2,1-2H3
InChIKeyNHYAFMXJUATQFS-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.68
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 107944932
1-(3-bromo-5-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 107945718
1-(3-bromo-5-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 107945587
N-[(3-bromo-5-chlorophenyl)-(4-propylphenyl)methyl]ethanamine
CID 107945725
1-(3,5-dibromophenyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 107975019
N-[(3,5-dibromophenyl)-(4-ethylphenyl)methyl]ethanamine
CID 107974191
1-(3,5-dibromophenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 114022838
1-(3-bromo-5-chlorophenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 107945175
1-(3-bromo-5-chlorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 107946026
1-(3,5-dichloro-2-pyridinyl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 79779897
1-(3-chloro-5-methylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 81315749
1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480542

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine (CID 107945351) is 1-(3-bromo-5-chlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine is CCc1ccc(C(NC)c2cc(Cl)cc(Br)c2)cc1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine?
The InChIKey is NHYAFMXJUATQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClN/c1-3-11-4-6-12(7-5-11)16(19-2)13-8-14(17)10-15(18)9-13/h4-10,16,19H,3H2,1-2H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine?
1-(3-bromo-5-chlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine has a molecular weight of 338.68 g/mol, XLogP of 4.97, 4 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)-1-(4-ethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 107945351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).