2-(3-bromophenyl)-N'-methylpropane-1,3-diamine

C10H15BrN2 — CID 20546518

IUPAC2-(3-bromophenyl)-N'-methylpropane-1,3-diamine
SMILESCNCC(CN)c1cccc(Br)c1
InChIInChI=1S/C10H15BrN2/c1-13-7-9(6-12)8-3-2-4-10(11)5-8/h2-5,9,13H,6-7,12H2,1H3
InChIKeyXGKZYLUFLACKPV-UHFFFAOYSA-N
MW243.15 g/mol
LogP1.71
Rot. Bonds4

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

2-(3-bromophenyl)-N'-methylpropane-1,3-diamine (PubChem CID 20546518) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N'-methylpropane-1,3-diamine
PubChem CID20546518
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name2-(3-bromophenyl)-N'-methylpropane-1,3-diamine
SMILESCNCC(CN)c1cccc(Br)c1
InChIInChI=1S/C10H15BrN2/c1-13-7-9(6-12)8-3-2-4-10(11)5-8/h2-5,9,13H,6-7,12H2,1H3
InChIKeyXGKZYLUFLACKPV-UHFFFAOYSA-N
XLogP1.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-4-ethylhexan-1-amine
CID 82929806
2-(3-ethylphenyl)-N'-methylpropane-1,3-diamine
CID 20546137
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
2-(3-ethoxyphenyl)-N'-methylpropane-1,3-diamine
CID 20546345
(4S)-5-amino-4-(3-bromophenyl)pentan-2-one
CID 166707434
3-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79417287
2-(3-bromophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 79443064
2-(3-bromophenyl)-N-methyl-5-phenoxypentan-1-amine
CID 79430860
2-(3-bromophenyl)-N-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 79442684
2-(3-bromophenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 79443065
2-(3-bromophenyl)-5-methoxypentan-1-amine
CID 79442544
2-(3-bromophenyl)-N-propylbutan-1-amine
CID 79443196

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of 2-(3-bromophenyl)-N'-methylpropane-1,3-diamine (CID 20546518) is 2-(3-bromophenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 2-(3-bromophenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for 2-(3-bromophenyl)-N'-methylpropane-1,3-diamine is CNCC(CN)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is XGKZYLUFLACKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-13-7-9(6-12)8-3-2-4-10(11)5-8/h2-5,9,13H,6-7,12H2,1H3.
What are the key properties of 2-(3-bromophenyl)-N'-methylpropane-1,3-diamine?
2-(3-bromophenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 243.15 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 20546518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).