N',N'-dimethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine

C14H24N2O — CID 98784045

IUPACN',N'-dimethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine
SMILESCN(C)CCNc1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C14H24N2O/c1-14(2,3)17-13-8-6-12(7-9-13)15-10-11-16(4)5/h6-9,15H,10-11H2,1-5H3
InChIKeyWJRAEYFAAKIXPA-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.84
Rot. Bonds5

About N',N'-dimethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine

N',N'-dimethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine (PubChem CID 98784045) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N',N'-dimethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine
PubChem CID98784045
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN',N'-dimethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine
SMILESCN(C)CCNc1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C14H24N2O/c1-14(2,3)17-13-8-6-12(7-9-13)15-10-11-16(4)5/h6-9,15H,10-11H2,1-5H3
InChIKeyWJRAEYFAAKIXPA-UHFFFAOYSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine (CID 98784045) is N',N'-dimethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine is CN(C)CCNc1ccc(OC(C)(C)C)cc1.
What is the InChIKey of N',N'-dimethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine?
The InChIKey is WJRAEYFAAKIXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-14(2,3)17-13-8-6-12(7-9-13)15-10-11-16(4)5/h6-9,15H,10-11H2,1-5H3.
What are the key properties of N',N'-dimethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine is sourced from PubChem (CID 98784045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).