1-(2,4-dibromophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine

C17H19Br2NO — CID 107946713

IUPAC1-(2,4-dibromophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(NC)c1ccc(Br)cc1Br
InChIInChI=1S/C17H19Br2NO/c1-3-10-21-16-7-5-4-6-14(16)17(20-2)13-9-8-12(18)11-15(13)19/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyWPLPDVSFNVUMGD-UHFFFAOYSA-N
MW413.15 g/mol
LogP5.31
Rot. Bonds6

About 1-(2,4-dibromophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine

1-(2,4-dibromophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine (PubChem CID 107946713) has the molecular formula C17H19Br2NO and a molecular weight of 413.15 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
PubChem CID107946713
Molecular FormulaC17H19Br2NO
Molecular Weight413.15 g/mol
Exact Mass410.98
IUPAC Name1-(2,4-dibromophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(NC)c1ccc(Br)cc1Br
InChIInChI=1S/C17H19Br2NO/c1-3-10-21-16-7-5-4-6-14(16)17(20-2)13-9-8-12(18)11-15(13)19/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyWPLPDVSFNVUMGD-UHFFFAOYSA-N
XLogP5.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.15
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 104660704
1-(2,4-difluorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 104660094
1-(5-bromo-2-ethoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 43487355
1-(2-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine
CID 104659993
1-(2,5-dimethylphenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 105035882
1-(2,6-difluorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 104660446
1-(2,6-dichlorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 105035881
1-(2,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine
CID 105018419
N-methyl-1-(2-propoxyphenyl)-1-pyridin-2-ylmethanamine
CID 104659848
N-methyl-1-(5-methylfuran-3-yl)-1-(2-propoxyphenyl)methanamine
CID 105035753
1-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 115793404
(2,4-dibromophenyl)-(2-ethoxyphenyl)methanol
CID 107947466

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine?
The IUPAC name of 1-(2,4-dibromophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine (CID 107946713) is 1-(2,4-dibromophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine?
The canonical SMILES for 1-(2,4-dibromophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine is CCCOc1ccccc1C(NC)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine?
The InChIKey is WPLPDVSFNVUMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2NO/c1-3-10-21-16-7-5-4-6-14(16)17(20-2)13-9-8-12(18)11-15(13)19/h4-9,11,17,20H,3,10H2,1-2H3.
What are the key properties of 1-(2,4-dibromophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine?
1-(2,4-dibromophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine has a molecular weight of 413.15 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine is sourced from PubChem (CID 107946713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).