1-(3,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine

C18H21Br2N — CID 107974526

IUPAC1-(3,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
SMILESCNC(Cc1ccc(C(C)C)cc1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C18H21Br2N/c1-12(2)14-6-4-13(5-7-14)8-18(21-3)15-9-16(19)11-17(20)10-15/h4-7,9-12,18,21H,8H2,1-3H3
InChIKeyWTGUYXQWNZNRQF-UHFFFAOYSA-N
MW411.18 g/mol
LogP5.84
Rot. Bonds5

About 1-(3,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine

1-(3,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine (PubChem CID 107974526) has the molecular formula C18H21Br2N and a molecular weight of 411.18 g/mol. Its IUPAC name is 1-(3,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
PubChem CID107974526
Molecular FormulaC18H21Br2N
Molecular Weight411.18 g/mol
Exact Mass409.00
IUPAC Name1-(3,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
SMILESCNC(Cc1ccc(C(C)C)cc1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C18H21Br2N/c1-12(2)14-6-4-13(5-7-14)8-18(21-3)15-9-16(19)11-17(20)10-15/h4-7,9-12,18,21H,8H2,1-3H3
InChIKeyWTGUYXQWNZNRQF-UHFFFAOYSA-N
XLogP5.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.18
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844386
1-(3-bromo-5-chlorophenyl)-N-methyl-2-phenylethanamine
CID 114019196
1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 114906488
2-(4-bromophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43480571
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 63413113
N-methyl-1-(5-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844127
N-methyl-1-(3-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 63413558
1-(3-chlorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63411987
1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818143
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107968162
N-methyl-1-(5-methyl-3-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 105137056
1-(2-bromofuran-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 106857333

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 1-(3,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine (CID 107974526) is 1-(3,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 1-(3,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 1-(3,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine is CNC(Cc1ccc(C(C)C)cc1)c1cc(Br)cc(Br)c1.
What is the InChIKey of 1-(3,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is WTGUYXQWNZNRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Br2N/c1-12(2)14-6-4-13(5-7-14)8-18(21-3)15-9-16(19)11-17(20)10-15/h4-7,9-12,18,21H,8H2,1-3H3.
What are the key properties of 1-(3,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
1-(3,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 411.18 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 107974526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).