1-(2-bromophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine

C15H25BrN2O — CID 82949019

IUPAC1-(2-bromophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine
SMILESCOCCN(C(C)C)C(c1ccccc1Br)C(C)N
InChIInChI=1S/C15H25BrN2O/c1-11(2)18(9-10-19-4)15(12(3)17)13-7-5-6-8-14(13)16/h5-8,11-12,15H,9-10,17H2,1-4H3
InChIKeyZSUBDLWBZUKSDK-UHFFFAOYSA-N
MW329.28 g/mol
LogP3.19
Rot. Bonds7

About 1-(2-bromophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine

1-(2-bromophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine (PubChem CID 82949019) has the molecular formula C15H25BrN2O and a molecular weight of 329.28 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine
PubChem CID82949019
Molecular FormulaC15H25BrN2O
Molecular Weight329.28 g/mol
Exact Mass328.12
IUPAC Name1-(2-bromophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine
SMILESCOCCN(C(C)C)C(c1ccccc1Br)C(C)N
InChIInChI=1S/C15H25BrN2O/c1-11(2)18(9-10-19-4)15(12(3)17)13-7-5-6-8-14(13)16/h5-8,11-12,15H,9-10,17H2,1-4H3
InChIKeyZSUBDLWBZUKSDK-UHFFFAOYSA-N
XLogP3.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-1-N-cyclopropyl-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 55022689
1-(2-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylbutane-1,2-diamine
CID 82949014
1-(2-bromophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 62625043
1-(3-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 82948540
1-(2-bromophenyl)-1-N-butan-2-yl-1-N-methylpropane-1,2-diamine
CID 55022779
1-(2-bromophenyl)-1-N-[3-(dimethylamino)propyl]-1-N-methylpropane-1,2-diamine
CID 63694266
1-(2-bromophenyl)-1-N-butyl-1-N-methylpropane-1,2-diamine
CID 55023020
1-(2-bromophenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 61448446
1-(2-bromophenyl)-1-N-methyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine
CID 55022491
1-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79384269
3-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]propanenitrile
CID 55022343
1,1,1-trifluoro-2-N-(2-methoxyethyl)-2-N-propan-2-ylbutane-2,3-diamine
CID 82948918

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine?
The IUPAC name of 1-(2-bromophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine (CID 82949019) is 1-(2-bromophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine?
The canonical SMILES for 1-(2-bromophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine is COCCN(C(C)C)C(c1ccccc1Br)C(C)N.
What is the InChIKey of 1-(2-bromophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine?
The InChIKey is ZSUBDLWBZUKSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O/c1-11(2)18(9-10-19-4)15(12(3)17)13-7-5-6-8-14(13)16/h5-8,11-12,15H,9-10,17H2,1-4H3.
What are the key properties of 1-(2-bromophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine?
1-(2-bromophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine has a molecular weight of 329.28 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 82949019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).