1-(2-bromophenyl)-N'-butyl-N,N'-diethylpropane-1,3-diamine

C17H29BrN2 — CID 63483594

IUPAC1-(2-bromophenyl)-N'-butyl-N,N'-diethylpropane-1,3-diamine
SMILESCCCCN(CC)CCC(NCC)c1ccccc1Br
InChIInChI=1S/C17H29BrN2/c1-4-7-13-20(6-3)14-12-17(19-5-2)15-10-8-9-11-16(15)18/h8-11,17,19H,4-7,12-14H2,1-3H3
InChIKeyWMLYQJFHKGEXDL-UHFFFAOYSA-N
MW341.34 g/mol
LogP4.61
Rot. Bonds10

About 1-(2-bromophenyl)-N'-butyl-N,N'-diethylpropane-1,3-diamine

1-(2-bromophenyl)-N'-butyl-N,N'-diethylpropane-1,3-diamine (PubChem CID 63483594) has the molecular formula C17H29BrN2 and a molecular weight of 341.34 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N'-butyl-N,N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N'-butyl-N,N'-diethylpropane-1,3-diamine
PubChem CID63483594
Molecular FormulaC17H29BrN2
Molecular Weight341.34 g/mol
Exact Mass340.15
IUPAC Name1-(2-bromophenyl)-N'-butyl-N,N'-diethylpropane-1,3-diamine
SMILESCCCCN(CC)CCC(NCC)c1ccccc1Br
InChIInChI=1S/C17H29BrN2/c1-4-7-13-20(6-3)14-12-17(19-5-2)15-10-8-9-11-16(15)18/h8-11,17,19H,4-7,12-14H2,1-3H3
InChIKeyWMLYQJFHKGEXDL-UHFFFAOYSA-N
XLogP4.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-N'-(2,2-dimethylpropyl)-N-ethyl-N'-methylpropane-1,3-diamine
CID 63495598
1-(2-bromophenyl)-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 63495417
1-(2-bromophenyl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine
CID 63009011
N'-butyl-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 62644965
1-(2-bromophenyl)-N'-ethyl-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine
CID 62629443
1-(2-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine
CID 114209930
N,N',N'-triethyl-1-(2-methoxyphenyl)propane-1,3-diamine
CID 79087347
1-(2-bromophenyl)-N-ethyl-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine
CID 62630308
1-(2-bromophenyl)-N-ethyl-3-methylhexan-1-amine
CID 63417467
1-(3-bromo-2-methylphenyl)-N-ethylpentan-1-amine
CID 115832741
N-ethyl-1-[2-[1-(ethylamino)tridecyl]phenyl]tridecan-1-amine
CID 57251881
1-(2-bromophenyl)-N'-[2-(dimethylamino)ethyl]-N-methyl-N'-propylpropane-1,3-diamine
CID 62629274

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N'-butyl-N,N'-diethylpropane-1,3-diamine?
The IUPAC name of 1-(2-bromophenyl)-N'-butyl-N,N'-diethylpropane-1,3-diamine (CID 63483594) is 1-(2-bromophenyl)-N'-butyl-N,N'-diethylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-N'-butyl-N,N'-diethylpropane-1,3-diamine?
The canonical SMILES for 1-(2-bromophenyl)-N'-butyl-N,N'-diethylpropane-1,3-diamine is CCCCN(CC)CCC(NCC)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N'-butyl-N,N'-diethylpropane-1,3-diamine?
The InChIKey is WMLYQJFHKGEXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29BrN2/c1-4-7-13-20(6-3)14-12-17(19-5-2)15-10-8-9-11-16(15)18/h8-11,17,19H,4-7,12-14H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-N'-butyl-N,N'-diethylpropane-1,3-diamine?
1-(2-bromophenyl)-N'-butyl-N,N'-diethylpropane-1,3-diamine has a molecular weight of 341.34 g/mol, XLogP of 4.61, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N'-butyl-N,N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 63483594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).