1-(2-ethoxyphenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine

C17H28N2O2 — CID 61433486

IUPAC1-(2-ethoxyphenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCCOc1ccccc1C(CN)N(CC)CC1CCCO1
InChIInChI=1S/C17H28N2O2/c1-3-19(13-14-8-7-11-21-14)16(12-18)15-9-5-6-10-17(15)20-4-2/h5-6,9-10,14,16H,3-4,7-8,11-13,18H2,1-2H3
InChIKeyIIXYEHKCEGFOMF-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.59
Rot. Bonds8

About 1-(2-ethoxyphenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine

1-(2-ethoxyphenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 61433486) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
PubChem CID61433486
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(2-ethoxyphenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCCOc1ccccc1C(CN)N(CC)CC1CCCO1
InChIInChI=1S/C17H28N2O2/c1-3-19(13-14-8-7-11-21-14)16(12-18)15-9-5-6-10-17(15)20-4-2/h5-6,9-10,14,16H,3-4,7-8,11-13,18H2,1-2H3
InChIKeyIIXYEHKCEGFOMF-UHFFFAOYSA-N
XLogP2.59
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(furan-2-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61433626
N-ethyl-1-(furan-3-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 63208354
N-cyclopropyl-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 43264757
(1S)-1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-amine
CID 78932149
1-(3,4-difluorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61433575
N-cyclohexyl-1-(2-ethoxyphenyl)-N-ethylethane-1,2-diamine
CID 43180403
1-(4-ethoxyphenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431322
N-ethyl-1-(3-fluoro-4-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 63649598
N-ethyl-1-(3-ethylimidazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 66133679
2-(2-ethoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61049972
N-(1-cyclopropylethyl)-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 43568904
N-cyclopropyl-1-(2-ethoxyphenyl)-N-propylethane-1,2-diamine
CID 43270179

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-ethoxyphenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (CID 61433486) is 1-(2-ethoxyphenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is CCOc1ccccc1C(CN)N(CC)CC1CCCO1.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is IIXYEHKCEGFOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-19(13-14-8-7-11-21-14)16(12-18)15-9-5-6-10-17(15)20-4-2/h5-6,9-10,14,16H,3-4,7-8,11-13,18H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
1-(2-ethoxyphenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 292.42 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 61433486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).