1-(2-bromophenyl)-N-methyl-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine

C17H29BrN2 — CID 63493011

IUPAC1-(2-bromophenyl)-N-methyl-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCNC(CCN(CC(C)C)C(C)C)c1ccccc1Br
InChIInChI=1S/C17H29BrN2/c1-13(2)12-20(14(3)4)11-10-17(19-5)15-8-6-7-9-16(15)18/h6-9,13-14,17,19H,10-12H2,1-5H3
InChIKeyVZXMMJNNJPNDKC-UHFFFAOYSA-N
MW341.34 g/mol
LogP4.47
Rot. Bonds8

About 1-(2-bromophenyl)-N-methyl-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine

1-(2-bromophenyl)-N-methyl-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 63493011) has the molecular formula C17H29BrN2 and a molecular weight of 341.34 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-methyl-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-methyl-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID63493011
Molecular FormulaC17H29BrN2
Molecular Weight341.34 g/mol
Exact Mass340.15
IUPAC Name1-(2-bromophenyl)-N-methyl-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCNC(CCN(CC(C)C)C(C)C)c1ccccc1Br
InChIInChI=1S/C17H29BrN2/c1-13(2)12-20(14(3)4)11-10-17(19-5)15-8-6-7-9-16(15)18/h6-9,13-14,17,19H,10-12H2,1-5H3
InChIKeyVZXMMJNNJPNDKC-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-(2-bromophenyl)-N-methyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine
CID 62630602
N-methyl-N'-(2-methylpropyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62613776
1-(2-bromophenyl)-N,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112665006
3-(2-bromophenyl)-3-(methylamino)propan-1-ol
CID 64815328
1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62645335
1-(2-bromophenyl)-N'-[2-(dimethylamino)ethyl]-N-methyl-N'-propylpropane-1,3-diamine
CID 62629274
1-(2-bromophenyl)-N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 63495491
1-(2-bromophenyl)-N-methylhexan-1-amine
CID 62602989
1-(2-bromophenyl)-N'-ethyl-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine
CID 62629443
1-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine
CID 116948009
(2S)-2-(2-bromophenyl)-2-(methylamino)ethanol
CID 93471242
1-(2-bromophenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 63866126

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-methyl-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of 1-(2-bromophenyl)-N-methyl-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine (CID 63493011) is 1-(2-bromophenyl)-N-methyl-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-methyl-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for 1-(2-bromophenyl)-N-methyl-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine is CNC(CCN(CC(C)C)C(C)C)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-methyl-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is VZXMMJNNJPNDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29BrN2/c1-13(2)12-20(14(3)4)11-10-17(19-5)15-8-6-7-9-16(15)18/h6-9,13-14,17,19H,10-12H2,1-5H3.
What are the key properties of 1-(2-bromophenyl)-N-methyl-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine?
1-(2-bromophenyl)-N-methyl-N'-(2-methylpropyl)-N'-propan-2-ylpropane-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-(2-bromophenyl)-N-methyl-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 63493011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).