N'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine

C16H28N2O2 — CID 61451426

IUPACN'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCOCC(C)N(C)CC(N)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H28N2O2/c1-12(2)20-15-8-6-14(7-9-15)16(17)10-18(4)13(3)11-19-5/h6-9,12-13,16H,10-11,17H2,1-5H3
InChIKeyKZFLSOMVZYUUBV-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.44
Rot. Bonds8

About N'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine

N'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine (PubChem CID 61451426) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
PubChem CID61451426
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCOCC(C)N(C)CC(N)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H28N2O2/c1-12(2)20-15-8-6-14(7-9-15)16(17)10-18(4)13(3)11-19-5/h6-9,12-13,16H,10-11,17H2,1-5H3
InChIKeyKZFLSOMVZYUUBV-UHFFFAOYSA-N
XLogP2.44
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 61451468
N',N'-diethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 16781981
2-(3-methylbutoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43184192
1-(4-methoxyphenyl)-N'-methyl-N'-pentan-2-ylethane-1,2-diamine
CID 43572006
N'-methyl-1-(4-propan-2-yloxyphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60891559
1-(4-methoxyphenyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 16782629
1-(2,4-dimethoxyphenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 61453473
2-heptoxy-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43127517
2-butan-2-yloxy-1-(4-propan-2-yloxyphenyl)ethanamine
CID 54944095
1-(2-fluorophenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 114058272
N'-(cyclobutylmethyl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 62861835
1-N-(1-methoxypropan-2-yl)-1-N-methylpropane-1,2-diamine
CID 61453428

Frequently Asked Questions

What is the IUPAC name of N'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine (CID 61451426) is N'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine is COCC(C)N(C)CC(N)c1ccc(OC(C)C)cc1.
What is the InChIKey of N'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The InChIKey is KZFLSOMVZYUUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-12(2)20-15-8-6-14(7-9-15)16(17)10-18(4)13(3)11-19-5/h6-9,12-13,16H,10-11,17H2,1-5H3.
What are the key properties of N'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
N'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine has a molecular weight of 280.41 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 61451426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).