1-(3-bromophenyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine

C16H21BrN2O — CID 62617768

IUPAC1-(3-bromophenyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine
SMILESCc1occc1CN(C)CCC(N)c1cccc(Br)c1
InChIInChI=1S/C16H21BrN2O/c1-12-14(7-9-20-12)11-19(2)8-6-16(18)13-4-3-5-15(17)10-13/h3-5,7,9-10,16H,6,8,11,18H2,1-2H3
InChIKeyGGUDGPWNIKEFPS-UHFFFAOYSA-N
MW337.26 g/mol
LogP3.87
Rot. Bonds6

About 1-(3-bromophenyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine

1-(3-bromophenyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine (PubChem CID 62617768) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine
PubChem CID62617768
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC Name1-(3-bromophenyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine
SMILESCc1occc1CN(C)CCC(N)c1cccc(Br)c1
InChIInChI=1S/C16H21BrN2O/c1-12-14(7-9-20-12)11-19(2)8-6-16(18)13-4-3-5-15(17)10-13/h3-5,7,9-10,16H,6,8,11,18H2,1-2H3
InChIKeyGGUDGPWNIKEFPS-UHFFFAOYSA-N
XLogP3.87
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 63864710
1-(3-bromophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
CID 65487295
1-(3-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 55099568
1-(4-bromophenyl)-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 62619476
1-(3-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethylpropane-1,3-diamine
CID 102997098
(2R)-2-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-phenylacetamide
CID 61426697
1-(3-chlorophenyl)-N'-(furan-2-ylmethyl)-N'-methylpropane-1,3-diamine
CID 62630263
1-(3-bromophenyl)-N'-(1-cyclopropylethyl)-N'-methylpropane-1,3-diamine
CID 62618564
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(3-methylphenyl)ethane-1,2-diamine
CID 62558100
3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanehydrazide
CID 63578941
1-(3-bromophenyl)-N'-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62618210
1-(3-bromophenyl)hexan-1-amine
CID 62602572

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine?
The IUPAC name of 1-(3-bromophenyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine (CID 62617768) is 1-(3-bromophenyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for 1-(3-bromophenyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine?
The canonical SMILES for 1-(3-bromophenyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine is Cc1occc1CN(C)CCC(N)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine?
The InChIKey is GGUDGPWNIKEFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c1-12-14(7-9-20-12)11-19(2)8-6-16(18)13-4-3-5-15(17)10-13/h3-5,7,9-10,16H,6,8,11,18H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine?
1-(3-bromophenyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine has a molecular weight of 337.26 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 62617768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).