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

C15H26N2O — CID 70921714

IUPAC1-N-ethyl-1-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
SMILESCCN(CC(C)(C)N)C(C)c1ccccc1OC
InChIInChI=1S/C15H26N2O/c1-6-17(11-15(3,4)16)12(2)13-9-7-8-10-14(13)18-5/h7-10,12H,6,11,16H2,1-5H3
InChIKeyHSCJMBHKAOLDIL-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.82
Rot. Bonds6

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

1-N-ethyl-1-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine (PubChem CID 70921714) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-N-ethyl-1-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
PubChem CID70921714
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-N-ethyl-1-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
SMILESCCN(CC(C)(C)N)C(C)c1ccccc1OC
InChIInChI=1S/C15H26N2O/c1-6-17(11-15(3,4)16)12(2)13-9-7-8-10-14(13)18-5/h7-10,12H,6,11,16H2,1-5H3
InChIKeyHSCJMBHKAOLDIL-UHFFFAOYSA-N
XLogP2.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[1-(2-ethoxyphenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79660570
(2S)-2-N-tert-butyl-1-N-ethyl-1-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine
CID 58313578
(1R)-N-ethyl-1-(2-methoxyphenyl)-N-methylethanamine
CID 118327627
3-amino-4-[ethyl-[(1S)-1-(2-methoxyphenyl)ethyl]amino]butan-1-ol
CID 66916342
1-N-tert-butyl-2-N-ethyl-2-N-[(1S)-1-(2-methoxyphenyl)ethyl]propane-1,2-diamine
CID 58313619
2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol
CID 79660854
N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4,4-dimethylpentanamide
CID 58313512
N'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N'-[(1S)-1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 66658313
2-(tert-butylamino)-N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 58313557
N-butan-2-yl-N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 43274304
1-N-ethyl-1-(2-methoxyphenyl)-1-N-(2-methylbutyl)butane-1,2-diamine
CID 79481507
1-(2-methoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine
CID 116904570

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine (CID 70921714) is 1-N-ethyl-1-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine is CCN(CC(C)(C)N)C(C)c1ccccc1OC.
What is the InChIKey of 1-N-ethyl-1-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine?
The InChIKey is HSCJMBHKAOLDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-6-17(11-15(3,4)16)12(2)13-9-7-8-10-14(13)18-5/h7-10,12H,6,11,16H2,1-5H3.
What are the key properties of 1-N-ethyl-1-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine?
1-N-ethyl-1-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine is sourced from PubChem (CID 70921714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).