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

C13H22N2O — CID 16642866

IUPACN,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCC(C)Oc1ccc(C(CN)N(C)C)cc1
InChIInChI=1S/C13H22N2O/c1-10(2)16-12-7-5-11(6-8-12)13(9-14)15(3)4/h5-8,10,13H,9,14H2,1-4H3
InChIKeyYQIGXGUELXVADN-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.04
Rot. Bonds5

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

N,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine (PubChem CID 16642866) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
PubChem CID16642866
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCC(C)Oc1ccc(C(CN)N(C)C)cc1
InChIInChI=1S/C13H22N2O/c1-10(2)16-12-7-5-11(6-8-12)13(9-14)15(3)4/h5-8,10,13H,9,14H2,1-4H3
InChIKeyYQIGXGUELXVADN-UHFFFAOYSA-N
XLogP2.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine (CID 16642866) is N,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine is CC(C)Oc1ccc(C(CN)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The InChIKey is YQIGXGUELXVADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(2)16-12-7-5-11(6-8-12)13(9-14)15(3)4/h5-8,10,13H,9,14H2,1-4H3.
What are the key properties of N,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
N,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 16642866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).