1-(3-bromophenyl)-N,N'-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine

C16H27BrN2 — CID 62618729

IUPAC1-(3-bromophenyl)-N,N'-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
SMILESCCC(C)CN(C)CCC(NC)c1cccc(Br)c1
InChIInChI=1S/C16H27BrN2/c1-5-13(2)12-19(4)10-9-16(18-3)14-7-6-8-15(17)11-14/h6-8,11,13,16,18H,5,9-10,12H2,1-4H3
InChIKeyYJNKKYUGBVENBJ-UHFFFAOYSA-N
MW327.31 g/mol
LogP4.08
Rot. Bonds8

About 1-(3-bromophenyl)-N,N'-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine

1-(3-bromophenyl)-N,N'-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine (PubChem CID 62618729) has the molecular formula C16H27BrN2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N,N'-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N,N'-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
PubChem CID62618729
Molecular FormulaC16H27BrN2
Molecular Weight327.31 g/mol
Exact Mass326.14
IUPAC Name1-(3-bromophenyl)-N,N'-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
SMILESCCC(C)CN(C)CCC(NC)c1cccc(Br)c1
InChIInChI=1S/C16H27BrN2/c1-5-13(2)12-19(4)10-9-16(18-3)14-7-6-8-15(17)11-14/h6-8,11,13,16,18H,5,9-10,12H2,1-4H3
InChIKeyYJNKKYUGBVENBJ-UHFFFAOYSA-N
XLogP4.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N'-[(5-bromothiophen-3-yl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 63493560
1-(3-bromophenyl)-N'-(furan-2-ylmethyl)-N,N'-dimethylpropane-1,3-diamine
CID 62617201
1-(3-bromophenyl)-N'-cyclopentyl-N,N'-dimethylpropane-1,3-diamine
CID 62618045
1-(3-bromophenyl)-N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62617396
1-(3-bromophenyl)-N',N'-bis(2-methoxyethyl)-N-methylpropane-1,3-diamine
CID 62618958
1-(3-bromophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 63495016
3-N-[1-(3-bromophenyl)propyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 54963370
1-(3-bromophenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82743614
N-[(3-bromophenyl)methyl]-N,2-dimethylbutan-1-amine
CID 55136782
1-(3-bromophenyl)-1-N,4-dimethylpentane-1,4-diamine
CID 116950243
2-N-[1-(3-bromophenyl)propyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477187
1-(3-chlorophenyl)-N,N'-dimethyl-N'-propylpropane-1,3-diamine
CID 55098697

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N,N'-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine?
The IUPAC name of 1-(3-bromophenyl)-N,N'-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine (CID 62618729) is 1-(3-bromophenyl)-N,N'-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine.
What is the SMILES notation for 1-(3-bromophenyl)-N,N'-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine?
The canonical SMILES for 1-(3-bromophenyl)-N,N'-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine is CCC(C)CN(C)CCC(NC)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N,N'-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine?
The InChIKey is YJNKKYUGBVENBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2/c1-5-13(2)12-19(4)10-9-16(18-3)14-7-6-8-15(17)11-14/h6-8,11,13,16,18H,5,9-10,12H2,1-4H3.
What are the key properties of 1-(3-bromophenyl)-N,N'-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine?
1-(3-bromophenyl)-N,N'-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine has a molecular weight of 327.31 g/mol, XLogP of 4.08, 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,N'-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine is sourced from PubChem (CID 62618729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).