N'-benzyl-N'-[(2,4-dimethoxyphenyl)methyl]ethane-1,2-diamine

C18H24N2O2 — CID 39423483

IUPACN'-benzyl-N'-[(2,4-dimethoxyphenyl)methyl]ethane-1,2-diamine
SMILESCOc1ccc(CN(CCN)Cc2ccccc2)c(OC)c1
InChIInChI=1S/C18H24N2O2/c1-21-17-9-8-16(18(12-17)22-2)14-20(11-10-19)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14,19H2,1-2H3
InChIKeyLMOOMGSUIREXDH-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.66
Rot. Bonds8

About N'-benzyl-N'-[(2,4-dimethoxyphenyl)methyl]ethane-1,2-diamine

N'-benzyl-N'-[(2,4-dimethoxyphenyl)methyl]ethane-1,2-diamine (PubChem CID 39423483) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N'-benzyl-N'-[(2,4-dimethoxyphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[(2,4-dimethoxyphenyl)methyl]ethane-1,2-diamine
PubChem CID39423483
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN'-benzyl-N'-[(2,4-dimethoxyphenyl)methyl]ethane-1,2-diamine
SMILESCOc1ccc(CN(CCN)Cc2ccccc2)c(OC)c1
InChIInChI=1S/C18H24N2O2/c1-21-17-9-8-16(18(12-17)22-2)14-20(11-10-19)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14,19H2,1-2H3
InChIKeyLMOOMGSUIREXDH-UHFFFAOYSA-N
XLogP2.66
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[(2,5-dimethoxyphenyl)methyl]butan-1-amine
CID 2244864
N'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 62922412
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
N'-benzyl-N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 82886139
N-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide
CID 110767880
N'-benzyl-N'-[(2,4-difluorophenyl)methyl]ethane-1,2-diamine
CID 62197006
N',N'-dibenzylethane-1,2-diamine;ethenamine
CID 67896793
N'-ethyl-N'-[(2-fluoro-4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 102876148
[4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934531
2-[(2,4-dimethoxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethanol
CID 111116702
N-benzyl-2-bromo-N-[(3-methoxyphenyl)methyl]ethanamine
CID 80679001
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[(2,4-dimethoxyphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-[(2,4-dimethoxyphenyl)methyl]ethane-1,2-diamine (CID 39423483) is N'-benzyl-N'-[(2,4-dimethoxyphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-[(2,4-dimethoxyphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-[(2,4-dimethoxyphenyl)methyl]ethane-1,2-diamine is COc1ccc(CN(CCN)Cc2ccccc2)c(OC)c1.
What is the InChIKey of N'-benzyl-N'-[(2,4-dimethoxyphenyl)methyl]ethane-1,2-diamine?
The InChIKey is LMOOMGSUIREXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-21-17-9-8-16(18(12-17)22-2)14-20(11-10-19)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14,19H2,1-2H3.
What are the key properties of N'-benzyl-N'-[(2,4-dimethoxyphenyl)methyl]ethane-1,2-diamine?
N'-benzyl-N'-[(2,4-dimethoxyphenyl)methyl]ethane-1,2-diamine has a molecular weight of 300.40 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[(2,4-dimethoxyphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 39423483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).