N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine

C17H22N2 — CID 39357118

IUPACN'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1cccc(CN(CCN)Cc2ccccc2)c1
InChIInChI=1S/C17H22N2/c1-15-6-5-9-17(12-15)14-19(11-10-18)13-16-7-3-2-4-8-16/h2-9,12H,10-11,13-14,18H2,1H3
InChIKeyIMWQYSCICDXQGL-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.96
Rot. Bonds6

About N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine

N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine (PubChem CID 39357118) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
PubChem CID39357118
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1cccc(CN(CCN)Cc2ccccc2)c1
InChIInChI=1S/C17H22N2/c1-15-6-5-9-17(12-15)14-19(11-10-18)13-16-7-3-2-4-8-16/h2-9,12H,10-11,13-14,18H2,1H3
InChIKeyIMWQYSCICDXQGL-UHFFFAOYSA-N
XLogP2.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
3-[[2-aminoethyl(benzyl)amino]methyl]benzonitrile
CID 106511326
N',N'-dibenzylethane-1,2-diamine;ethenamine
CID 67896793
N'-(2-chlorophenyl)-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 28771686
N'-benzyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 106511670
N'-(2-methoxyethyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine
CID 63285263
N'-benzyl-N'-(trimethylsilylmethyl)ethane-1,2-diamine
CID 122164959
N-benzyl-N-[[3-[[[3-[[bis[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-methylphenyl]methyl-[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-[(dibenzylamino)methyl]phenyl]methyl]-1-phenylmethanamine
CID 89334206
N'-benzyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 61014687
2-[benzyl-[(3,5-dimethylphenyl)methyl]amino]ethanol
CID 60684939
N'-[(4-fluorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]ethane-1,2-diamine
CID 23959578
N'-methyl-N'-[(3-methylphenyl)methyl]hexane-1,6-diamine
CID 61411443

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine (CID 39357118) is N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine is Cc1cccc(CN(CCN)Cc2ccccc2)c1.
What is the InChIKey of N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is IMWQYSCICDXQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-15-6-5-9-17(12-15)14-19(11-10-18)13-16-7-3-2-4-8-16/h2-9,12H,10-11,13-14,18H2,1H3.
What are the key properties of N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine?
N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 254.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 39357118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).