N'-benzyl-N'-[1-(3-methoxyphenyl)ethyl]ethane-1,2-diamine

C18H24N2O — CID 106511322

IUPACN'-benzyl-N'-[1-(3-methoxyphenyl)ethyl]ethane-1,2-diamine
SMILESCOc1cccc(C(C)N(CCN)Cc2ccccc2)c1
InChIInChI=1S/C18H24N2O/c1-15(17-9-6-10-18(13-17)21-2)20(12-11-19)14-16-7-4-3-5-8-16/h3-10,13,15H,11-12,14,19H2,1-2H3
InChIKeyDABHCFSWRQIMIU-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.22
Rot. Bonds7

About N'-benzyl-N'-[1-(3-methoxyphenyl)ethyl]ethane-1,2-diamine

N'-benzyl-N'-[1-(3-methoxyphenyl)ethyl]ethane-1,2-diamine (PubChem CID 106511322) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N'-benzyl-N'-[1-(3-methoxyphenyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[1-(3-methoxyphenyl)ethyl]ethane-1,2-diamine
PubChem CID106511322
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN'-benzyl-N'-[1-(3-methoxyphenyl)ethyl]ethane-1,2-diamine
SMILESCOc1cccc(C(C)N(CCN)Cc2ccccc2)c1
InChIInChI=1S/C18H24N2O/c1-15(17-9-6-10-18(13-17)21-2)20(12-11-19)14-16-7-4-3-5-8-16/h3-10,13,15H,11-12,14,19H2,1-2H3
InChIKeyDABHCFSWRQIMIU-UHFFFAOYSA-N
XLogP3.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-benzyl-N'-[1-(3-chlorophenyl)ethyl]ethane-1,2-diamine
CID 106511328
3-[1-[2-aminoethyl(benzyl)amino]ethyl]phenol
CID 106511324
N'-benzyl-N'-[1-(4-methylsulfanylphenyl)ethyl]ethane-1,2-diamine
CID 106511300
N-ethyl-1-(3-methoxyphenyl)-N-[(3-nitrophenyl)methyl]ethanamine
CID 60508907
N-benzyl-2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]acetamide
CID 75878483
N-[(3-methoxyphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine
CID 61420129
2-(3-methoxyphenyl)-1-phenylpropan-1-amine
CID 57276567
N,N-dibenzyl-3-(3-methoxyphenyl)-2-methylpentan-1-amine
CID 67306009
cumene;ethane;1-ethyl-3-methoxybenzene
CID 171630693
2-benzylsulfanyl-2-(3-methoxyphenyl)ethanamine
CID 55017981
N'-benzyl-N'-[1-(3-fluorophenyl)propyl]ethane-1,2-diamine
CID 106511255
N'-(1-phenylethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 112501735

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[1-(3-methoxyphenyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-[1-(3-methoxyphenyl)ethyl]ethane-1,2-diamine (CID 106511322) is N'-benzyl-N'-[1-(3-methoxyphenyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-[1-(3-methoxyphenyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-[1-(3-methoxyphenyl)ethyl]ethane-1,2-diamine is COc1cccc(C(C)N(CCN)Cc2ccccc2)c1.
What is the InChIKey of N'-benzyl-N'-[1-(3-methoxyphenyl)ethyl]ethane-1,2-diamine?
The InChIKey is DABHCFSWRQIMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-15(17-9-6-10-18(13-17)21-2)20(12-11-19)14-16-7-4-3-5-8-16/h3-10,13,15H,11-12,14,19H2,1-2H3.
What are the key properties of N'-benzyl-N'-[1-(3-methoxyphenyl)ethyl]ethane-1,2-diamine?
N'-benzyl-N'-[1-(3-methoxyphenyl)ethyl]ethane-1,2-diamine has a molecular weight of 284.40 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[1-(3-methoxyphenyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 106511322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).