N'-[(3-bromophenyl)methyl]-N'-ethylethane-1,2-diamine

C11H17BrN2 — CID 66568274

IUPACN'-[(3-bromophenyl)methyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)Cc1cccc(Br)c1
InChIInChI=1S/C11H17BrN2/c1-2-14(7-6-13)9-10-4-3-5-11(12)8-10/h3-5,8H,2,6-7,9,13H2,1H3
InChIKeyXSMDMHAMGOGFLG-UHFFFAOYSA-N
MW257.17 g/mol
LogP2.23
Rot. Bonds5

About N'-[(3-bromophenyl)methyl]-N'-ethylethane-1,2-diamine

N'-[(3-bromophenyl)methyl]-N'-ethylethane-1,2-diamine (PubChem CID 66568274) has the molecular formula C11H17BrN2 and a molecular weight of 257.17 g/mol. Its IUPAC name is N'-[(3-bromophenyl)methyl]-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-bromophenyl)methyl]-N'-ethylethane-1,2-diamine
PubChem CID66568274
Molecular FormulaC11H17BrN2
Molecular Weight257.17 g/mol
Exact Mass256.06
IUPAC NameN'-[(3-bromophenyl)methyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)Cc1cccc(Br)c1
InChIInChI=1S/C11H17BrN2/c1-2-14(7-6-13)9-10-4-3-5-11(12)8-10/h3-5,8H,2,6-7,9,13H2,1H3
InChIKeyXSMDMHAMGOGFLG-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-[(3-bromophenyl)methyl]-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-[(3-bromophenyl)methyl]-N'-ethylethane-1,2-diamine (CID 66568274) is N'-[(3-bromophenyl)methyl]-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-[(3-bromophenyl)methyl]-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-[(3-bromophenyl)methyl]-N'-ethylethane-1,2-diamine is CCN(CCN)Cc1cccc(Br)c1.
What is the InChIKey of N'-[(3-bromophenyl)methyl]-N'-ethylethane-1,2-diamine?
The InChIKey is XSMDMHAMGOGFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-2-14(7-6-13)9-10-4-3-5-11(12)8-10/h3-5,8H,2,6-7,9,13H2,1H3.
What are the key properties of N'-[(3-bromophenyl)methyl]-N'-ethylethane-1,2-diamine?
N'-[(3-bromophenyl)methyl]-N'-ethylethane-1,2-diamine has a molecular weight of 257.17 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-bromophenyl)methyl]-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 66568274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).