2-N',2-N'-diethyl-1-(4-methoxyphenyl)propane-2,2-diamine

C14H24N2O — CID 84752655

IUPAC2-N',2-N'-diethyl-1-(4-methoxyphenyl)propane-2,2-diamine
SMILESCCN(CC)C(C)(N)Cc1ccc(OC)cc1
InChIInChI=1S/C14H24N2O/c1-5-16(6-2)14(3,15)11-12-7-9-13(17-4)10-8-12/h7-10H,5-6,11,15H2,1-4H3
InChIKeyWVGVAILADGRNIJ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.25
Rot. Bonds6

About 2-N',2-N'-diethyl-1-(4-methoxyphenyl)propane-2,2-diamine

2-N',2-N'-diethyl-1-(4-methoxyphenyl)propane-2,2-diamine (PubChem CID 84752655) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-N',2-N'-diethyl-1-(4-methoxyphenyl)propane-2,2-diamine.

Molecular Properties

Compound Name2-N',2-N'-diethyl-1-(4-methoxyphenyl)propane-2,2-diamine
PubChem CID84752655
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-N',2-N'-diethyl-1-(4-methoxyphenyl)propane-2,2-diamine
SMILESCCN(CC)C(C)(N)Cc1ccc(OC)cc1
InChIInChI=1S/C14H24N2O/c1-5-16(6-2)14(3,15)11-12-7-9-13(17-4)10-8-12/h7-10H,5-6,11,15H2,1-4H3
InChIKeyWVGVAILADGRNIJ-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-2-N',2-N'-dipropylpropane-2,2-diamine
CID 84747739
1-(4-methoxyphenyl)-2-N',2-N'-dimethylpropane-2,2-diamine
CID 84748167
1,2-bis(4-methoxyphenyl)propan-2-amine
CID 63273092
2-amino-3-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 22961263
2-N-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine
CID 55139466
1-(4-iodophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
CID 65477669
2-amino-3-(4-methoxyphenyl)-2-methylpropanenitrile
CID 14989929
2-N',2-N'-diethyl-1-(2-methoxyphenyl)propane-2,2-diamine
CID 84752665
N-ethyl-N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 146018467
2-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine
CID 63273223
3-(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 131843624
2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 61266612

Frequently Asked Questions

What is the IUPAC name of 2-N',2-N'-diethyl-1-(4-methoxyphenyl)propane-2,2-diamine?
The IUPAC name of 2-N',2-N'-diethyl-1-(4-methoxyphenyl)propane-2,2-diamine (CID 84752655) is 2-N',2-N'-diethyl-1-(4-methoxyphenyl)propane-2,2-diamine.
What is the SMILES notation for 2-N',2-N'-diethyl-1-(4-methoxyphenyl)propane-2,2-diamine?
The canonical SMILES for 2-N',2-N'-diethyl-1-(4-methoxyphenyl)propane-2,2-diamine is CCN(CC)C(C)(N)Cc1ccc(OC)cc1.
What is the InChIKey of 2-N',2-N'-diethyl-1-(4-methoxyphenyl)propane-2,2-diamine?
The InChIKey is WVGVAILADGRNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-16(6-2)14(3,15)11-12-7-9-13(17-4)10-8-12/h7-10H,5-6,11,15H2,1-4H3.
What are the key properties of 2-N',2-N'-diethyl-1-(4-methoxyphenyl)propane-2,2-diamine?
2-N',2-N'-diethyl-1-(4-methoxyphenyl)propane-2,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.25, 6 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-(4-methoxyphenyl)propane-2,2-diamine is sourced from PubChem (CID 84752655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).