1-(3-bromophenyl)-N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine

C17H29BrN2 — CID 63494741

IUPAC1-(3-bromophenyl)-N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
SMILESCCNC(CCN(C)C(C)C(C)C)c1cccc(Br)c1
InChIInChI=1S/C17H29BrN2/c1-6-19-17(15-8-7-9-16(18)12-15)10-11-20(5)14(4)13(2)3/h7-9,12-14,17,19H,6,10-11H2,1-5H3
InChIKeyOKLSZNSWSGIIGU-UHFFFAOYSA-N
MW341.34 g/mol
LogP4.47
Rot. Bonds8

About 1-(3-bromophenyl)-N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine

1-(3-bromophenyl)-N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine (PubChem CID 63494741) has the molecular formula C17H29BrN2 and a molecular weight of 341.34 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
PubChem CID63494741
Molecular FormulaC17H29BrN2
Molecular Weight341.34 g/mol
Exact Mass340.15
IUPAC Name1-(3-bromophenyl)-N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
SMILESCCNC(CCN(C)C(C)C(C)C)c1cccc(Br)c1
InChIInChI=1S/C17H29BrN2/c1-6-19-17(15-8-7-9-16(18)12-15)10-11-20(5)14(4)13(2)3/h7-9,12-14,17,19H,6,10-11H2,1-5H3
InChIKeyOKLSZNSWSGIIGU-UHFFFAOYSA-N
XLogP4.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
CID 62617737
1-(3-bromophenyl)-N'-(cyclopentylmethyl)-N-ethyl-N'-methylpropane-1,3-diamine
CID 63633029
N-ethyl-N'-methyl-1-(3-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 55098067
1-(3-bromophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 54919438
1-(3-bromophenyl)-N-ethyl-2-methylpropan-1-amine
CID 60819212
1-(3-bromophenyl)-N-ethyl-2-methoxyethanamine
CID 79575057
1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine
CID 60819896
3-N-[1-(3-bromophenyl)propyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 54963370
1-(3-bromophenyl)-N,N'-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 62618729
1-(3-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 63413050
1-(3-bromophenyl)-N-ethyl-3-morpholin-4-ylpropan-1-amine
CID 55094941
1-(3-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 62395894

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine?
The IUPAC name of 1-(3-bromophenyl)-N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine (CID 63494741) is 1-(3-bromophenyl)-N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine?
The canonical SMILES for 1-(3-bromophenyl)-N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine is CCNC(CCN(C)C(C)C(C)C)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine?
The InChIKey is OKLSZNSWSGIIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29BrN2/c1-6-19-17(15-8-7-9-16(18)12-15)10-11-20(5)14(4)13(2)3/h7-9,12-14,17,19H,6,10-11H2,1-5H3.
What are the key properties of 1-(3-bromophenyl)-N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine?
1-(3-bromophenyl)-N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine has a molecular weight of 341.34 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 63494741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).