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

C10H15BrN2 — CID 116948153

IUPAC1-(3-bromophenyl)-1-N-methylpropane-1,2-diamine
SMILESCNC(c1cccc(Br)c1)C(C)N
InChIInChI=1S/C10H15BrN2/c1-7(12)10(13-2)8-4-3-5-9(11)6-8/h3-7,10,13H,12H2,1-2H3
InChIKeyLGXNMUHMKODVFV-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.06
Rot. Bonds3

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

1-(3-bromophenyl)-1-N-methylpropane-1,2-diamine (PubChem CID 116948153) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-N-methylpropane-1,2-diamine
PubChem CID116948153
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name1-(3-bromophenyl)-1-N-methylpropane-1,2-diamine
SMILESCNC(c1cccc(Br)c1)C(C)N
InChIInChI=1S/C10H15BrN2/c1-7(12)10(13-2)8-4-3-5-9(11)6-8/h3-7,10,13H,12H2,1-2H3
InChIKeyLGXNMUHMKODVFV-UHFFFAOYSA-N
XLogP2.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(3-bromophenyl)-1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
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CID 79307668
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CID 116939544
2-(3-bromophenyl)propane-1-thiol
CID 115038075
2-(3-bromophenyl)-2-(methylamino)acetonitrile
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1-[3-(3-bromophenyl)phenyl]-N-methylethanamine
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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-(3-bromophenyl)-1-N-methylpropane-1,2-diamine (CID 116948153) is 1-(3-bromophenyl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-(3-bromophenyl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-(3-bromophenyl)-1-N-methylpropane-1,2-diamine is CNC(c1cccc(Br)c1)C(C)N.
What is the InChIKey of 1-(3-bromophenyl)-1-N-methylpropane-1,2-diamine?
The InChIKey is LGXNMUHMKODVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-7(12)10(13-2)8-4-3-5-9(11)6-8/h3-7,10,13H,12H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-1-N-methylpropane-1,2-diamine?
1-(3-bromophenyl)-1-N-methylpropane-1,2-diamine has a molecular weight of 243.15 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 116948153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).