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

C12H19BrN2 — CID 39369905

IUPACN'-[(3-bromophenyl)methyl]-N'-propylethane-1,2-diamine
SMILESCCCN(CCN)Cc1cccc(Br)c1
InChIInChI=1S/C12H19BrN2/c1-2-7-15(8-6-14)10-11-4-3-5-12(13)9-11/h3-5,9H,2,6-8,10,14H2,1H3
InChIKeyMCHYARXLQOFSFE-UHFFFAOYSA-N
MW271.20 g/mol
LogP2.62
Rot. Bonds6

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

N'-[(3-bromophenyl)methyl]-N'-propylethane-1,2-diamine (PubChem CID 39369905) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is N'-[(3-bromophenyl)methyl]-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-bromophenyl)methyl]-N'-propylethane-1,2-diamine
PubChem CID39369905
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC NameN'-[(3-bromophenyl)methyl]-N'-propylethane-1,2-diamine
SMILESCCCN(CCN)Cc1cccc(Br)c1
InChIInChI=1S/C12H19BrN2/c1-2-7-15(8-6-14)10-11-4-3-5-12(13)9-11/h3-5,9H,2,6-8,10,14H2,1H3
InChIKeyMCHYARXLQOFSFE-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 52.62
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'-propylethane-1,2-diamine?
The IUPAC name of N'-[(3-bromophenyl)methyl]-N'-propylethane-1,2-diamine (CID 39369905) is N'-[(3-bromophenyl)methyl]-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[(3-bromophenyl)methyl]-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[(3-bromophenyl)methyl]-N'-propylethane-1,2-diamine is CCCN(CCN)Cc1cccc(Br)c1.
What is the InChIKey of N'-[(3-bromophenyl)methyl]-N'-propylethane-1,2-diamine?
The InChIKey is MCHYARXLQOFSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-2-7-15(8-6-14)10-11-4-3-5-12(13)9-11/h3-5,9H,2,6-8,10,14H2,1H3.
What are the key properties of N'-[(3-bromophenyl)methyl]-N'-propylethane-1,2-diamine?
N'-[(3-bromophenyl)methyl]-N'-propylethane-1,2-diamine has a molecular weight of 271.20 g/mol, XLogP of 2.62, 6 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'-propylethane-1,2-diamine is sourced from PubChem (CID 39369905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).