N',N'-dimethyl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine

C13H22N2O — CID 39245563

IUPACN',N'-dimethyl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCC(C)Oc1ccccc1NCCN(C)C
InChIInChI=1S/C13H22N2O/c1-11(2)16-13-8-6-5-7-12(13)14-9-10-15(3)4/h5-8,11,14H,9-10H2,1-4H3
InChIKeyXSTMTXXESWYJFV-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.45
Rot. Bonds6

About N',N'-dimethyl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine

N',N'-dimethyl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine (PubChem CID 39245563) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
PubChem CID39245563
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN',N'-dimethyl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCC(C)Oc1ccccc1NCCN(C)C
InChIInChI=1S/C13H22N2O/c1-11(2)16-13-8-6-5-7-12(13)14-9-10-15(3)4/h5-8,11,14H,9-10H2,1-4H3
InChIKeyXSTMTXXESWYJFV-UHFFFAOYSA-N
XLogP2.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyanilino)propanamide
CID 109016279
1-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyphenyl)urea
CID 108988227
5-[2-(dimethylamino)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109229386
N'-(2-propan-2-yloxyphenyl)butane-1,4-diamine
CID 82114677
N'-butan-2-yl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808384
N-[2-(2-chlorophenoxy)ethyl]-2-propan-2-yloxyaniline
CID 54802475
N-(2-propan-2-yloxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 54805651
N-(3,4-dimethylphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54805421
6-N-[3-(dimethylamino)propyl]-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112870627
2-methyl-1-(2-propan-2-yloxyanilino)propan-2-ol
CID 39246107
N'-(2,5-dichlorophenyl)-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54809748
N-(4-phenoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54805438

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine (CID 39245563) is N',N'-dimethyl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine is CC(C)Oc1ccccc1NCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine?
The InChIKey is XSTMTXXESWYJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(2)16-13-8-6-5-7-12(13)14-9-10-15(3)4/h5-8,11,14H,9-10H2,1-4H3.
What are the key properties of N',N'-dimethyl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine?
N',N'-dimethyl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 39245563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).