1-N-ethyl-1-(2-methoxyphenyl)-1-N-(2-methylbutyl)butane-1,2-diamine

C18H32N2O — CID 79481507

IUPAC1-N-ethyl-1-(2-methoxyphenyl)-1-N-(2-methylbutyl)butane-1,2-diamine
SMILESCCC(C)CN(CC)C(c1ccccc1OC)C(N)CC
InChIInChI=1S/C18H32N2O/c1-6-14(4)13-20(8-3)18(16(19)7-2)15-11-9-10-12-17(15)21-5/h9-12,14,16,18H,6-8,13,19H2,1-5H3
InChIKeyKGXZARDTERZIRT-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.84
Rot. Bonds9

About 1-N-ethyl-1-(2-methoxyphenyl)-1-N-(2-methylbutyl)butane-1,2-diamine

1-N-ethyl-1-(2-methoxyphenyl)-1-N-(2-methylbutyl)butane-1,2-diamine (PubChem CID 79481507) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-N-ethyl-1-(2-methoxyphenyl)-1-N-(2-methylbutyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-(2-methoxyphenyl)-1-N-(2-methylbutyl)butane-1,2-diamine
PubChem CID79481507
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-N-ethyl-1-(2-methoxyphenyl)-1-N-(2-methylbutyl)butane-1,2-diamine
SMILESCCC(C)CN(CC)C(c1ccccc1OC)C(N)CC
InChIInChI=1S/C18H32N2O/c1-6-14(4)13-20(8-3)18(16(19)7-2)15-11-9-10-12-17(15)21-5/h9-12,14,16,18H,6-8,13,19H2,1-5H3
InChIKeyKGXZARDTERZIRT-UHFFFAOYSA-N
XLogP3.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-ethyl-1-(2-methoxyphenyl)-1-N-propylbutane-1,2-diamine
CID 55021740
1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylbutyl)propane-1,2-diamine
CID 79477287
1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 55019022
1-N-ethyl-1-N-(2-methylbutyl)-1-phenylpropane-1,2-diamine
CID 79476713
1-(2-methoxyphenyl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
CID 81036559
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
3-amino-4-[ethyl-[(1S)-1-(2-methoxyphenyl)ethyl]amino]butan-1-ol
CID 66916342
N'-ethyl-1-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 43263333
2-[[2-amino-1-(2-methoxyphenyl)butyl]-cyclobutylamino]ethanol
CID 102860441
(1R,2S)-1-amino-1-(2-methoxyphenyl)butan-2-ol
CID 96622527
1-N-ethyl-1-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 70921714
1-(2-ethoxyphenyl)-N'-methyl-N'-(2-methylbutyl)ethane-1,2-diamine
CID 43295700

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-(2-methoxyphenyl)-1-N-(2-methylbutyl)butane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-(2-methoxyphenyl)-1-N-(2-methylbutyl)butane-1,2-diamine (CID 79481507) is 1-N-ethyl-1-(2-methoxyphenyl)-1-N-(2-methylbutyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-(2-methoxyphenyl)-1-N-(2-methylbutyl)butane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-(2-methoxyphenyl)-1-N-(2-methylbutyl)butane-1,2-diamine is CCC(C)CN(CC)C(c1ccccc1OC)C(N)CC.
What is the InChIKey of 1-N-ethyl-1-(2-methoxyphenyl)-1-N-(2-methylbutyl)butane-1,2-diamine?
The InChIKey is KGXZARDTERZIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-14(4)13-20(8-3)18(16(19)7-2)15-11-9-10-12-17(15)21-5/h9-12,14,16,18H,6-8,13,19H2,1-5H3.
What are the key properties of 1-N-ethyl-1-(2-methoxyphenyl)-1-N-(2-methylbutyl)butane-1,2-diamine?
1-N-ethyl-1-(2-methoxyphenyl)-1-N-(2-methylbutyl)butane-1,2-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-(2-methoxyphenyl)-1-N-(2-methylbutyl)butane-1,2-diamine is sourced from PubChem (CID 79481507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).