N'-[(2-bromo-5-methylphenyl)methyl]-N'-ethylethane-1,2-diamine

C12H19BrN2 — CID 103102194

IUPACN'-[(2-bromo-5-methylphenyl)methyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)Cc1cc(C)ccc1Br
InChIInChI=1S/C12H19BrN2/c1-3-15(7-6-14)9-11-8-10(2)4-5-12(11)13/h4-5,8H,3,6-7,9,14H2,1-2H3
InChIKeyOBVLRJDQWORHMM-UHFFFAOYSA-N
MW271.20 g/mol
LogP2.54
Rot. Bonds5

About N'-[(2-bromo-5-methylphenyl)methyl]-N'-ethylethane-1,2-diamine

N'-[(2-bromo-5-methylphenyl)methyl]-N'-ethylethane-1,2-diamine (PubChem CID 103102194) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is N'-[(2-bromo-5-methylphenyl)methyl]-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-bromo-5-methylphenyl)methyl]-N'-ethylethane-1,2-diamine
PubChem CID103102194
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC NameN'-[(2-bromo-5-methylphenyl)methyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)Cc1cc(C)ccc1Br
InChIInChI=1S/C12H19BrN2/c1-3-15(7-6-14)9-11-8-10(2)4-5-12(11)13/h4-5,8H,3,6-7,9,14H2,1-2H3
InChIKeyOBVLRJDQWORHMM-UHFFFAOYSA-N
XLogP2.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(2,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 61481983
N'-[(3,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 61348360
N'-ethyl-N'-[(2-methoxy-5-methylphenyl)methyl]propane-1,3-diamine
CID 62155475
1-bromo-2-ethyl-4-methylbenzene;ethane
CID 153401137
N'-ethyl-N'-[(2-ethylphenyl)methyl]ethane-1,2-diamine
CID 103102282
N'-[(4-bromophenyl)methyl]-N'-ethylethane-1,2-diamine
CID 66568273
N'-[(3-bromo-2-fluorophenyl)methyl]-N'-ethylethane-1,2-diamine
CID 107951116
N'-[(4-bromo-1H-pyrrol-2-yl)methyl]-N'-ethylethane-1,2-diamine
CID 103102322
4-bromo-3-[[butyl(ethyl)amino]methyl]phenol
CID 82974913
N'-[(4-chloro-3-methylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103102286
3-[(2,5-dimethylphenyl)methyl-ethylamino]propanoic acid
CID 61481727
N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylpropan-1-amine
CID 143282104

Frequently Asked Questions

What is the IUPAC name of N'-[(2-bromo-5-methylphenyl)methyl]-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-[(2-bromo-5-methylphenyl)methyl]-N'-ethylethane-1,2-diamine (CID 103102194) is N'-[(2-bromo-5-methylphenyl)methyl]-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-[(2-bromo-5-methylphenyl)methyl]-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-[(2-bromo-5-methylphenyl)methyl]-N'-ethylethane-1,2-diamine is CCN(CCN)Cc1cc(C)ccc1Br.
What is the InChIKey of N'-[(2-bromo-5-methylphenyl)methyl]-N'-ethylethane-1,2-diamine?
The InChIKey is OBVLRJDQWORHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-3-15(7-6-14)9-11-8-10(2)4-5-12(11)13/h4-5,8H,3,6-7,9,14H2,1-2H3.
What are the key properties of N'-[(2-bromo-5-methylphenyl)methyl]-N'-ethylethane-1,2-diamine?
N'-[(2-bromo-5-methylphenyl)methyl]-N'-ethylethane-1,2-diamine has a molecular weight of 271.20 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-bromo-5-methylphenyl)methyl]-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 103102194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).