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

C15H26N2O — CID 43194008

IUPACN',N'-diethyl-N-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
SMILESCCN(CC)CCNC(C)c1ccccc1OC
InChIInChI=1S/C15H26N2O/c1-5-17(6-2)12-11-16-13(3)14-9-7-8-10-15(14)18-4/h7-10,13,16H,5-6,11-12H2,1-4H3
InChIKeyVNSUUCJJXJOKAK-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.69
Rot. Bonds8

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

N',N'-diethyl-N-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine (PubChem CID 43194008) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N',N'-diethyl-N-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
PubChem CID43194008
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN',N'-diethyl-N-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
SMILESCCN(CC)CCNC(C)c1ccccc1OC
InChIInChI=1S/C15H26N2O/c1-5-17(6-2)12-11-16-13(3)14-9-7-8-10-15(14)18-4/h7-10,13,16H,5-6,11-12H2,1-4H3
InChIKeyVNSUUCJJXJOKAK-UHFFFAOYSA-N
XLogP2.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-ethoxyphenyl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 43194057
2-[1-[2-(diethylamino)ethylamino]ethyl]phenol
CID 43194012
2-[2-(diethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile
CID 54889441
N'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 60887758
(1R)-1-(2-methoxyphenyl)-N-(2-propoxyethyl)ethanamine
CID 106452312
N-[1-(2-ethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 55097849
N,N',N'-triethyl-1-(2-methoxyphenyl)propane-1,3-diamine
CID 79087347
3,3,3-trifluoro-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 81397407
3-[1-(2-methoxyphenyl)ethylamino]propanenitrile
CID 43183181
4-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]butanenitrile
CID 81387219
(1R)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(2-methoxyphenyl)ethanamine
CID 104562658
1-N-[(1S)-1-(2-methoxyphenyl)ethyl]hexane-1,4-diamine
CID 91409650

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine (CID 43194008) is N',N'-diethyl-N-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine is CCN(CC)CCNC(C)c1ccccc1OC.
What is the InChIKey of N',N'-diethyl-N-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine?
The InChIKey is VNSUUCJJXJOKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-17(6-2)12-11-16-13(3)14-9-7-8-10-15(14)18-4/h7-10,13,16H,5-6,11-12H2,1-4H3.
What are the key properties of N',N'-diethyl-N-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine?
N',N'-diethyl-N-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 43194008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).