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

C13H22N2O — CID 94258994

IUPACN'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
SMILESCOc1ccccc1CCN(C)CCCN
InChIInChI=1S/C13H22N2O/c1-15(10-5-9-14)11-8-12-6-3-4-7-13(12)16-2/h3-4,6-7H,5,8-11,14H2,1-2H3
InChIKeyKHAIKBDCMCPMFX-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.52
Rot. Bonds7

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

N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine (PubChem CID 94258994) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
PubChem CID94258994
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
SMILESCOc1ccccc1CCN(C)CCCN
InChIInChI=1S/C13H22N2O/c1-15(10-5-9-14)11-8-12-6-3-4-7-13(12)16-2/h3-4,6-7H,5,8-11,14H2,1-2H3
InChIKeyKHAIKBDCMCPMFX-UHFFFAOYSA-N
XLogP1.52
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(2-methoxyphenyl)ethyl]-N'-methylhexane-1,6-diamine;oxalic acid
CID 67634798
2-[2-(2-methoxyphenyl)ethyl-methylamino]ethanethiol
CID 115224424
2-ethyl-N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 115251757
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylbutane-1,4-diamine
CID 115201513
2-(2-methoxyphenyl)ethyl-methylcarbamothioic S-acid
CID 115170477
N'-[2-(2-methoxyphenyl)ethyl]butane-1,4-diamine
CID 115201470
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
4-N-[2-(2-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine
CID 117041340
4-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine
CID 3055328
3-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 55136357
7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide
CID 61027379

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine (CID 94258994) is N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine is COc1ccccc1CCN(C)CCCN.
What is the InChIKey of N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine?
The InChIKey is KHAIKBDCMCPMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-15(10-5-9-14)11-8-12-6-3-4-7-13(12)16-2/h3-4,6-7H,5,8-11,14H2,1-2H3.
What are the key properties of N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine?
N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine has a molecular weight of 222.33 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 94258994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).