1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)ethane-1,2-diamine

C16H26N2O2 — CID 82734630

IUPAC1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)ethane-1,2-diamine
SMILESCCOc1ccc(C(CN(C)C2CCOC2)NC)cc1
InChIInChI=1S/C16H26N2O2/c1-4-20-15-7-5-13(6-8-15)16(17-2)11-18(3)14-9-10-19-12-14/h5-8,14,16-17H,4,9-12H2,1-3H3
InChIKeyAOIXCOYCFISKBP-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.07
Rot. Bonds7

About 1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)ethane-1,2-diamine

1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 82734630) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID82734630
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)ethane-1,2-diamine
SMILESCCOc1ccc(C(CN(C)C2CCOC2)NC)cc1
InChIInChI=1S/C16H26N2O2/c1-4-20-15-7-5-13(6-8-15)16(17-2)11-18(3)14-9-10-19-12-14/h5-8,14,16-17H,4,9-12H2,1-3H3
InChIKeyAOIXCOYCFISKBP-UHFFFAOYSA-N
XLogP2.07
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-dimethyl-N'-(oxolan-3-yl)-1-(4-propylphenyl)ethane-1,2-diamine
CID 82735589
1-(2,4-dimethoxyphenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82733681
N'-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63693996
3-[chloro-(4-ethoxyphenyl)methyl]oxolane
CID 61278916
1-(2-ethoxyphenyl)-2-[methyl(oxolan-3-yl)amino]ethanol
CID 82748181
N-cyclopropyl-N-methyl-2-[4-[1-(methylamino)propyl]phenoxy]acetamide
CID 61488716
1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81035249
1-(4-ethoxyphenyl)-N-methyl-1-morpholin-3-ylmethanamine
CID 116956547
1-(2-methoxyphenyl)-N'-methyl-N'-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 82732241
1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028805
1-(4-ethoxyphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine
CID 64625568
1-(3-ethoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 113362131

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)ethane-1,2-diamine (CID 82734630) is 1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)ethane-1,2-diamine is CCOc1ccc(C(CN(C)C2CCOC2)NC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is AOIXCOYCFISKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-20-15-7-5-13(6-8-15)16(17-2)11-18(3)14-9-10-19-12-14/h5-8,14,16-17H,4,9-12H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)ethane-1,2-diamine?
1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 82734630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).