1-(2-bromo-4-chlorophenyl)-1-(2-bromo-4-ethoxyphenyl)-N-methylmethanamine

C16H16Br2ClNO — CID 107987565

IUPAC1-(2-bromo-4-chlorophenyl)-1-(2-bromo-4-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1ccc(C(NC)c2ccc(Cl)cc2Br)c(Br)c1
InChIInChI=1S/C16H16Br2ClNO/c1-3-21-11-5-7-13(15(18)9-11)16(20-2)12-6-4-10(19)8-14(12)17/h4-9,16,20H,3H2,1-2H3
InChIKeyFPABUAHEDMLPKB-UHFFFAOYSA-N
MW433.57 g/mol
LogP5.57
Rot. Bonds5

About 1-(2-bromo-4-chlorophenyl)-1-(2-bromo-4-ethoxyphenyl)-N-methylmethanamine

1-(2-bromo-4-chlorophenyl)-1-(2-bromo-4-ethoxyphenyl)-N-methylmethanamine (PubChem CID 107987565) has the molecular formula C16H16Br2ClNO and a molecular weight of 433.57 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-1-(2-bromo-4-ethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-1-(2-bromo-4-ethoxyphenyl)-N-methylmethanamine
PubChem CID107987565
Molecular FormulaC16H16Br2ClNO
Molecular Weight433.57 g/mol
Exact Mass430.93
IUPAC Name1-(2-bromo-4-chlorophenyl)-1-(2-bromo-4-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1ccc(C(NC)c2ccc(Cl)cc2Br)c(Br)c1
InChIInChI=1S/C16H16Br2ClNO/c1-3-21-11-5-7-13(15(18)9-11)16(20-2)12-6-4-10(19)8-14(12)17/h4-9,16,20H,3H2,1-2H3
InChIKeyFPABUAHEDMLPKB-UHFFFAOYSA-N
XLogP5.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.57
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 60788480
1-(2-bromo-4-ethoxyphenyl)-1-(3-chloro-4-iodophenyl)-N-methylmethanamine
CID 103220460
1-(2-bromo-4-methoxyphenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 60786122
1-(2-bromo-4-ethoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 81121867
1-(2-bromo-4-chlorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 107987636
(2-bromo-4-ethoxyphenyl)-(5-chloro-2-methylphenyl)methanol
CID 82890859
1-(2-bromo-4-chlorophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 107987368
1-(2-bromo-4-chlorophenyl)-1-(5-bromo-2-methylthiophen-3-yl)-N-methylmethanamine
CID 114024441
1-bromo-3-[(2-bromo-4-ethoxyphenyl)-chloromethyl]-5-chlorobenzene
CID 107959022
1-(2-bromo-4-methylphenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022239
2-bromo-1-[bromo-(3-chloro-4-fluorophenyl)methyl]-4-ethoxybenzene
CID 82879565
1-(2-bromo-4-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 107994637

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-1-(2-bromo-4-ethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-1-(2-bromo-4-ethoxyphenyl)-N-methylmethanamine (CID 107987565) is 1-(2-bromo-4-chlorophenyl)-1-(2-bromo-4-ethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-1-(2-bromo-4-ethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-1-(2-bromo-4-ethoxyphenyl)-N-methylmethanamine is CCOc1ccc(C(NC)c2ccc(Cl)cc2Br)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-1-(2-bromo-4-ethoxyphenyl)-N-methylmethanamine?
The InChIKey is FPABUAHEDMLPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2ClNO/c1-3-21-11-5-7-13(15(18)9-11)16(20-2)12-6-4-10(19)8-14(12)17/h4-9,16,20H,3H2,1-2H3.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-1-(2-bromo-4-ethoxyphenyl)-N-methylmethanamine?
1-(2-bromo-4-chlorophenyl)-1-(2-bromo-4-ethoxyphenyl)-N-methylmethanamine has a molecular weight of 433.57 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-1-(2-bromo-4-ethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 107987565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).