N',N'-dimethyl-N-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]ethane-1,2-diamine

C22H32N2O — CID 2966025

IUPACN',N'-dimethyl-N-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]ethane-1,2-diamine
SMILESCN(C)CCNCCCOc1ccc(C(C)(C)c2ccccc2)cc1
InChIInChI=1S/C22H32N2O/c1-22(2,19-9-6-5-7-10-19)20-11-13-21(14-12-20)25-18-8-15-23-16-17-24(3)4/h5-7,9-14,23H,8,15-18H2,1-4H3
InChIKeyNSFMTXXIWNCKBD-UHFFFAOYSA-N
MW340.51 g/mol
LogP3.93
Rot. Bonds10

About N',N'-dimethyl-N-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]ethane-1,2-diamine

N',N'-dimethyl-N-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]ethane-1,2-diamine (PubChem CID 2966025) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is N',N'-dimethyl-N-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]ethane-1,2-diamine
PubChem CID2966025
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC NameN',N'-dimethyl-N-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]ethane-1,2-diamine
SMILESCN(C)CCNCCCOc1ccc(C(C)(C)c2ccccc2)cc1
InChIInChI=1S/C22H32N2O/c1-22(2,19-9-6-5-7-10-19)20-11-13-21(14-12-20)25-18-8-15-23-16-17-24(3)4/h5-7,9-14,23H,8,15-18H2,1-4H3
InChIKeyNSFMTXXIWNCKBD-UHFFFAOYSA-N
XLogP3.93
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]ethane-1,2-diamine (CID 2966025) is N',N'-dimethyl-N-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]ethane-1,2-diamine is CN(C)CCNCCCOc1ccc(C(C)(C)c2ccccc2)cc1.
What is the InChIKey of N',N'-dimethyl-N-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]ethane-1,2-diamine?
The InChIKey is NSFMTXXIWNCKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O/c1-22(2,19-9-6-5-7-10-19)20-11-13-21(14-12-20)25-18-8-15-23-16-17-24(3)4/h5-7,9-14,23H,8,15-18H2,1-4H3.
What are the key properties of N',N'-dimethyl-N-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]ethane-1,2-diamine has a molecular weight of 340.51 g/mol, XLogP of 3.93, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]ethane-1,2-diamine is sourced from PubChem (CID 2966025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).