N-methyl-3-[[3-(4-methyl-1,4-diazepan-1-yl)phenyl]methoxy]-3-phenylpropan-1-amine

C23H33N3O — CID 142566852

IUPACN-methyl-3-[[3-(4-methyl-1,4-diazepan-1-yl)phenyl]methoxy]-3-phenylpropan-1-amine
SMILESCNCCC(OCc1cccc(N2CCCN(C)CC2)c1)c1ccccc1
InChIInChI=1S/C23H33N3O/c1-24-13-12-23(21-9-4-3-5-10-21)27-19-20-8-6-11-22(18-20)26-15-7-14-25(2)16-17-26/h3-6,8-11,18,23-24H,7,12-17,19H2,1-2H3
InChIKeyAUDQURFGOKIUSN-UHFFFAOYSA-N
MW367.54 g/mol
LogP3.70
Rot. Bonds8

About N-methyl-3-[[3-(4-methyl-1,4-diazepan-1-yl)phenyl]methoxy]-3-phenylpropan-1-amine

N-methyl-3-[[3-(4-methyl-1,4-diazepan-1-yl)phenyl]methoxy]-3-phenylpropan-1-amine (PubChem CID 142566852) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is N-methyl-3-[[3-(4-methyl-1,4-diazepan-1-yl)phenyl]methoxy]-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[[3-(4-methyl-1,4-diazepan-1-yl)phenyl]methoxy]-3-phenylpropan-1-amine
PubChem CID142566852
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC NameN-methyl-3-[[3-(4-methyl-1,4-diazepan-1-yl)phenyl]methoxy]-3-phenylpropan-1-amine
SMILESCNCCC(OCc1cccc(N2CCCN(C)CC2)c1)c1ccccc1
InChIInChI=1S/C23H33N3O/c1-24-13-12-23(21-9-4-3-5-10-21)27-19-20-8-6-11-22(18-20)26-15-7-14-25(2)16-17-26/h3-6,8-11,18,23-24H,7,12-17,19H2,1-2H3
InChIKeyAUDQURFGOKIUSN-UHFFFAOYSA-N
XLogP3.70
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[3-(4-methyl-1,4-diazepan-1-yl)phenyl]methoxy]-3-phenylpropan-1-amine?
The IUPAC name of N-methyl-3-[[3-(4-methyl-1,4-diazepan-1-yl)phenyl]methoxy]-3-phenylpropan-1-amine (CID 142566852) is N-methyl-3-[[3-(4-methyl-1,4-diazepan-1-yl)phenyl]methoxy]-3-phenylpropan-1-amine.
What is the SMILES notation for N-methyl-3-[[3-(4-methyl-1,4-diazepan-1-yl)phenyl]methoxy]-3-phenylpropan-1-amine?
The canonical SMILES for N-methyl-3-[[3-(4-methyl-1,4-diazepan-1-yl)phenyl]methoxy]-3-phenylpropan-1-amine is CNCCC(OCc1cccc(N2CCCN(C)CC2)c1)c1ccccc1.
What is the InChIKey of N-methyl-3-[[3-(4-methyl-1,4-diazepan-1-yl)phenyl]methoxy]-3-phenylpropan-1-amine?
The InChIKey is AUDQURFGOKIUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c1-24-13-12-23(21-9-4-3-5-10-21)27-19-20-8-6-11-22(18-20)26-15-7-14-25(2)16-17-26/h3-6,8-11,18,23-24H,7,12-17,19H2,1-2H3.
What are the key properties of N-methyl-3-[[3-(4-methyl-1,4-diazepan-1-yl)phenyl]methoxy]-3-phenylpropan-1-amine?
N-methyl-3-[[3-(4-methyl-1,4-diazepan-1-yl)phenyl]methoxy]-3-phenylpropan-1-amine has a molecular weight of 367.54 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[3-(4-methyl-1,4-diazepan-1-yl)phenyl]methoxy]-3-phenylpropan-1-amine is sourced from PubChem (CID 142566852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).