N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine

C15H23BrN2O — CID 115207139

IUPACN'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
SMILESCOc1ccc(Br)cc1CCN(C)CCNC1CC1
InChIInChI=1S/C15H23BrN2O/c1-18(10-8-17-14-4-5-14)9-7-12-11-13(16)3-6-15(12)19-2/h3,6,11,14,17H,4-5,7-10H2,1-2H3
InChIKeyXZXGFAMOUBETJZ-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.68
Rot. Bonds8

About N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine

N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine (PubChem CID 115207139) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
PubChem CID115207139
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC NameN'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
SMILESCOc1ccc(Br)cc1CCN(C)CCNC1CC1
InChIInChI=1S/C15H23BrN2O/c1-18(10-8-17-14-4-5-14)9-7-12-11-13(16)3-6-15(12)19-2/h3,6,11,14,17H,4-5,7-10H2,1-2H3
InChIKeyXZXGFAMOUBETJZ-UHFFFAOYSA-N
XLogP2.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N'-[2-(4-methoxy-3-methylphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 115207128
N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylmethanediamine
CID 115226195
N-[4-(5-bromo-2-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 81018729
N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylbutane-1,4-diamine
CID 115201513
N'-[2-(2-bromophenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 115207157
2-[2-(5-bromo-2-methoxyphenyl)ethyl-methylamino]acetamide
CID 115260219
N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
CID 792004
N'-[(4-bromo-2-chlorophenyl)methyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 113409176
4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene
CID 10693794
4-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926328
N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 65194895
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylethanamine
CID 782861

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine (CID 115207139) is N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine is COc1ccc(Br)cc1CCN(C)CCNC1CC1.
What is the InChIKey of N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine?
The InChIKey is XZXGFAMOUBETJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-18(10-8-17-14-4-5-14)9-7-12-11-13(16)3-6-15(12)19-2/h3,6,11,14,17H,4-5,7-10H2,1-2H3.
What are the key properties of N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine?
N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine has a molecular weight of 327.27 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 115207139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).