2-N,2-N-diethyl-1-N,2-dimethyl-1-(4-propan-2-yloxyphenyl)propane-1,2-diamine

C18H32N2O — CID 79047766

IUPAC2-N,2-N-diethyl-1-N,2-dimethyl-1-(4-propan-2-yloxyphenyl)propane-1,2-diamine
SMILESCCN(CC)C(C)(C)C(NC)c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-8-20(9-2)18(5,6)17(19-7)15-10-12-16(13-11-15)21-14(3)4/h10-14,17,19H,8-9H2,1-7H3
InChIKeyMPPSSXNCYVBEMP-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.85
Rot. Bonds8

About 2-N,2-N-diethyl-1-N,2-dimethyl-1-(4-propan-2-yloxyphenyl)propane-1,2-diamine

2-N,2-N-diethyl-1-N,2-dimethyl-1-(4-propan-2-yloxyphenyl)propane-1,2-diamine (PubChem CID 79047766) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-N,2-N-diethyl-1-N,2-dimethyl-1-(4-propan-2-yloxyphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-1-N,2-dimethyl-1-(4-propan-2-yloxyphenyl)propane-1,2-diamine
PubChem CID79047766
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name2-N,2-N-diethyl-1-N,2-dimethyl-1-(4-propan-2-yloxyphenyl)propane-1,2-diamine
SMILESCCN(CC)C(C)(C)C(NC)c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-8-20(9-2)18(5,6)17(19-7)15-10-12-16(13-11-15)21-14(3)4/h10-14,17,19H,8-9H2,1-7H3
InChIKeyMPPSSXNCYVBEMP-UHFFFAOYSA-N
XLogP3.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
CID 79052774
1-(4-chlorophenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
CID 79056752
1-N-ethyl-2-N,2-N,2-trimethyl-1-(4-propan-2-yloxyphenyl)propane-1,2-diamine
CID 79054197
2,2-dimethyl-3-(methylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 116953225
N,2-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine
CID 43485559
N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 63981433
(1R)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 30049099
1-(4-cyclopropyloxyphenyl)-N,N-diethyl-1-hydrazinyl-2-methylpropan-2-amine
CID 105239235
2-methoxy-N-methyl-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 79616330
2,2,2-trifluoro-N-methyl-1-[4-[1-[4-[2,2,2-trifluoro-1-(methylamino)ethyl]phenoxy]propoxy]phenyl]ethanamine
CID 88586174
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)propane-1,2-diamine
CID 116544650

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-1-N,2-dimethyl-1-(4-propan-2-yloxyphenyl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-1-N,2-dimethyl-1-(4-propan-2-yloxyphenyl)propane-1,2-diamine (CID 79047766) is 2-N,2-N-diethyl-1-N,2-dimethyl-1-(4-propan-2-yloxyphenyl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-1-N,2-dimethyl-1-(4-propan-2-yloxyphenyl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-1-N,2-dimethyl-1-(4-propan-2-yloxyphenyl)propane-1,2-diamine is CCN(CC)C(C)(C)C(NC)c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-N,2-N-diethyl-1-N,2-dimethyl-1-(4-propan-2-yloxyphenyl)propane-1,2-diamine?
The InChIKey is MPPSSXNCYVBEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-8-20(9-2)18(5,6)17(19-7)15-10-12-16(13-11-15)21-14(3)4/h10-14,17,19H,8-9H2,1-7H3.
What are the key properties of 2-N,2-N-diethyl-1-N,2-dimethyl-1-(4-propan-2-yloxyphenyl)propane-1,2-diamine?
2-N,2-N-diethyl-1-N,2-dimethyl-1-(4-propan-2-yloxyphenyl)propane-1,2-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-1-N,2-dimethyl-1-(4-propan-2-yloxyphenyl)propane-1,2-diamine is sourced from PubChem (CID 79047766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).