1-N-ethyl-2-N-(2-methoxyphenyl)-2-N-methylbutane-1,2-diamine

C14H24N2O — CID 62429504

IUPAC1-N-ethyl-2-N-(2-methoxyphenyl)-2-N-methylbutane-1,2-diamine
SMILESCCNCC(CC)N(C)c1ccccc1OC
InChIInChI=1S/C14H24N2O/c1-5-12(11-15-6-2)16(3)13-9-7-8-10-14(13)17-4/h7-10,12,15H,5-6,11H2,1-4H3
InChIKeyFPHADQVEVOMPOI-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.52
Rot. Bonds7

About 1-N-ethyl-2-N-(2-methoxyphenyl)-2-N-methylbutane-1,2-diamine

1-N-ethyl-2-N-(2-methoxyphenyl)-2-N-methylbutane-1,2-diamine (PubChem CID 62429504) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-N-ethyl-2-N-(2-methoxyphenyl)-2-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-N-(2-methoxyphenyl)-2-N-methylbutane-1,2-diamine
PubChem CID62429504
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-N-ethyl-2-N-(2-methoxyphenyl)-2-N-methylbutane-1,2-diamine
SMILESCCNCC(CC)N(C)c1ccccc1OC
InChIInChI=1S/C14H24N2O/c1-5-12(11-15-6-2)16(3)13-9-7-8-10-14(13)17-4/h7-10,12,15H,5-6,11H2,1-4H3
InChIKeyFPHADQVEVOMPOI-UHFFFAOYSA-N
XLogP2.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-ethyl-2-N-[(2-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine
CID 83054110
1-N-tert-butyl-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine
CID 55074176
2-N-(3,5-dimethylphenyl)-1-N-ethyl-2-N-methylbutane-1,2-diamine
CID 62463216
N-ethyl-N'-(2-methoxyphenyl)-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103070217
4-methoxy-2-N-(2-methoxyphenyl)-2-N,4-dimethylpentane-1,2-diamine
CID 106675642
N-iodo-2-methoxy-N-methylaniline
CID 153134478
1-[2-(2-methoxy-N-methylanilino)phenyl]propan-1-ol
CID 115995973
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-2-methoxy-N-methylaniline
CID 62430923
3-(ethylamino)-N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpropanamide
CID 62853456
2-methoxy-N-methyl-N-propylaniline
CID 23198488
1-methoxy-2-N-(2-methoxyphenyl)-2-N-methyl-3-phenylpropane-1,2-diamine
CID 67831126
3-(ethylamino)-N-[(2-methoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 62852033

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N-(2-methoxyphenyl)-2-N-methylbutane-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-N-(2-methoxyphenyl)-2-N-methylbutane-1,2-diamine (CID 62429504) is 1-N-ethyl-2-N-(2-methoxyphenyl)-2-N-methylbutane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-N-(2-methoxyphenyl)-2-N-methylbutane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-N-(2-methoxyphenyl)-2-N-methylbutane-1,2-diamine is CCNCC(CC)N(C)c1ccccc1OC.
What is the InChIKey of 1-N-ethyl-2-N-(2-methoxyphenyl)-2-N-methylbutane-1,2-diamine?
The InChIKey is FPHADQVEVOMPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-12(11-15-6-2)16(3)13-9-7-8-10-14(13)17-4/h7-10,12,15H,5-6,11H2,1-4H3.
What are the key properties of 1-N-ethyl-2-N-(2-methoxyphenyl)-2-N-methylbutane-1,2-diamine?
1-N-ethyl-2-N-(2-methoxyphenyl)-2-N-methylbutane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N-(2-methoxyphenyl)-2-N-methylbutane-1,2-diamine is sourced from PubChem (CID 62429504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).