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

C11H18N2O — CID 60887758

IUPACN'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
SMILESCOc1ccccc1C(C)NCCN
InChIInChI=1S/C11H18N2O/c1-9(13-8-7-12)10-5-3-4-6-11(10)14-2/h3-6,9,13H,7-8,12H2,1-2H3
InChIKeyDMOCUSJJLRBULA-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.30
Rot. Bonds5

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

N'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine (PubChem CID 60887758) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
PubChem CID60887758
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
SMILESCOc1ccccc1C(C)NCCN
InChIInChI=1S/C11H18N2O/c1-9(13-8-7-12)10-5-3-4-6-11(10)14-2/h3-6,9,13H,7-8,12H2,1-2H3
InChIKeyDMOCUSJJLRBULA-UHFFFAOYSA-N
XLogP1.30
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-methoxyphenyl)ethylamino]propanenitrile
CID 43183181
3,3,3-trifluoro-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 81397407
(1R)-1-(2-methoxyphenyl)-N-(2-propoxyethyl)ethanamine
CID 106452312
4-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]butanenitrile
CID 81387219
methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 81387841
methyl 3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 81387774
(1R)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(2-methoxyphenyl)ethanamine
CID 104562658
N',N'-diethyl-N-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 43194008
1-N-[(1S)-1-(2-methoxyphenyl)ethyl]hexane-1,4-diamine
CID 91409650
4,4,4-trifluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]butan-1-amine
CID 115513840
N-[2-[1-(2-methoxyphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 43202951
1-(2-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54941073

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine (CID 60887758) is N'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine is COc1ccccc1C(C)NCCN.
What is the InChIKey of N'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine?
The InChIKey is DMOCUSJJLRBULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(13-8-7-12)10-5-3-4-6-11(10)14-2/h3-6,9,13H,7-8,12H2,1-2H3.
What are the key properties of N'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine?
N'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 60887758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).