N-methyl-1-[4-[[4-[2-[methyl(propan-2-yl)amino]propoxy]phenyl]methyl]phenoxy]propan-2-amine

C24H36N2O2 — CID 162444077

IUPACN-methyl-1-[4-[[4-[2-[methyl(propan-2-yl)amino]propoxy]phenyl]methyl]phenoxy]propan-2-amine
SMILESCNC(C)COc1ccc(Cc2ccc(OCC(C)N(C)C(C)C)cc2)cc1
InChIInChI=1S/C24H36N2O2/c1-18(2)26(6)20(4)17-28-24-13-9-22(10-14-24)15-21-7-11-23(12-8-21)27-16-19(3)25-5/h7-14,18-20,25H,15-17H2,1-6H3
InChIKeyQRPMJKTXRGKRIS-UHFFFAOYSA-N
MW384.56 g/mol
LogP4.37
Rot. Bonds11

About N-methyl-1-[4-[[4-[2-[methyl(propan-2-yl)amino]propoxy]phenyl]methyl]phenoxy]propan-2-amine

N-methyl-1-[4-[[4-[2-[methyl(propan-2-yl)amino]propoxy]phenyl]methyl]phenoxy]propan-2-amine (PubChem CID 162444077) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is N-methyl-1-[4-[[4-[2-[methyl(propan-2-yl)amino]propoxy]phenyl]methyl]phenoxy]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[4-[[4-[2-[methyl(propan-2-yl)amino]propoxy]phenyl]methyl]phenoxy]propan-2-amine
PubChem CID162444077
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC NameN-methyl-1-[4-[[4-[2-[methyl(propan-2-yl)amino]propoxy]phenyl]methyl]phenoxy]propan-2-amine
SMILESCNC(C)COc1ccc(Cc2ccc(OCC(C)N(C)C(C)C)cc2)cc1
InChIInChI=1S/C24H36N2O2/c1-18(2)26(6)20(4)17-28-24-13-9-22(10-14-24)15-21-7-11-23(12-8-21)27-16-19(3)25-5/h7-14,18-20,25H,15-17H2,1-6H3
InChIKeyQRPMJKTXRGKRIS-UHFFFAOYSA-N
XLogP4.37
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[[4-[2-[methyl(propan-2-yl)amino]propoxy]phenyl]methyl]phenoxy]propan-2-amine?
The IUPAC name of N-methyl-1-[4-[[4-[2-[methyl(propan-2-yl)amino]propoxy]phenyl]methyl]phenoxy]propan-2-amine (CID 162444077) is N-methyl-1-[4-[[4-[2-[methyl(propan-2-yl)amino]propoxy]phenyl]methyl]phenoxy]propan-2-amine.
What is the SMILES notation for N-methyl-1-[4-[[4-[2-[methyl(propan-2-yl)amino]propoxy]phenyl]methyl]phenoxy]propan-2-amine?
The canonical SMILES for N-methyl-1-[4-[[4-[2-[methyl(propan-2-yl)amino]propoxy]phenyl]methyl]phenoxy]propan-2-amine is CNC(C)COc1ccc(Cc2ccc(OCC(C)N(C)C(C)C)cc2)cc1.
What is the InChIKey of N-methyl-1-[4-[[4-[2-[methyl(propan-2-yl)amino]propoxy]phenyl]methyl]phenoxy]propan-2-amine?
The InChIKey is QRPMJKTXRGKRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-18(2)26(6)20(4)17-28-24-13-9-22(10-14-24)15-21-7-11-23(12-8-21)27-16-19(3)25-5/h7-14,18-20,25H,15-17H2,1-6H3.
What are the key properties of N-methyl-1-[4-[[4-[2-[methyl(propan-2-yl)amino]propoxy]phenyl]methyl]phenoxy]propan-2-amine?
N-methyl-1-[4-[[4-[2-[methyl(propan-2-yl)amino]propoxy]phenyl]methyl]phenoxy]propan-2-amine has a molecular weight of 384.56 g/mol, XLogP of 4.37, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[[4-[2-[methyl(propan-2-yl)amino]propoxy]phenyl]methyl]phenoxy]propan-2-amine is sourced from PubChem (CID 162444077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).