N'-[(3-methoxyphenyl)methyl]-N'-phenylpropane-1,3-diamine

C17H22N2O — CID 28770483

IUPACN'-[(3-methoxyphenyl)methyl]-N'-phenylpropane-1,3-diamine
SMILESCOc1cccc(CN(CCCN)c2ccccc2)c1
InChIInChI=1S/C17H22N2O/c1-20-17-10-5-7-15(13-17)14-19(12-6-11-18)16-8-3-2-4-9-16/h2-5,7-10,13H,6,11-12,14,18H2,1H3
InChIKeyOSUSAXKMGQNLBZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.05
Rot. Bonds7

About N'-[(3-methoxyphenyl)methyl]-N'-phenylpropane-1,3-diamine

N'-[(3-methoxyphenyl)methyl]-N'-phenylpropane-1,3-diamine (PubChem CID 28770483) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N'-[(3-methoxyphenyl)methyl]-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(3-methoxyphenyl)methyl]-N'-phenylpropane-1,3-diamine
PubChem CID28770483
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN'-[(3-methoxyphenyl)methyl]-N'-phenylpropane-1,3-diamine
SMILESCOc1cccc(CN(CCCN)c2ccccc2)c1
InChIInChI=1S/C17H22N2O/c1-20-17-10-5-7-15(13-17)14-19(12-6-11-18)16-8-3-2-4-9-16/h2-5,7-10,13H,6,11-12,14,18H2,1H3
InChIKeyOSUSAXKMGQNLBZ-UHFFFAOYSA-N
XLogP3.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 28770717
1-N-ethyl-4-N,4-N-bis[(3-methoxyphenyl)methyl]-1-N-phenylbenzene-1,4-diamine
CID 70842745
N'-[(3,5-dimethylphenyl)methyl]-N'-phenylpropane-1,3-diamine
CID 61029753
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
N'-benzyl-N'-(5-methoxypyrimidin-2-yl)propane-1,3-diamine
CID 107368222
N'-(3-methoxyphenyl)-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
CID 63190455
N'-(3-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79262673
N-[[3-(aminomethyl)phenyl]methyl]-N-butylaniline
CID 64584405
N'-(3-methoxyphenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 64552499
N-(3-aminopropyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-methylacetamide
CID 61420595
N'-cyclohexyl-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 43137618
N'-(3-methoxyphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43136389

Frequently Asked Questions

What is the IUPAC name of N'-[(3-methoxyphenyl)methyl]-N'-phenylpropane-1,3-diamine?
The IUPAC name of N'-[(3-methoxyphenyl)methyl]-N'-phenylpropane-1,3-diamine (CID 28770483) is N'-[(3-methoxyphenyl)methyl]-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-[(3-methoxyphenyl)methyl]-N'-phenylpropane-1,3-diamine?
The canonical SMILES for N'-[(3-methoxyphenyl)methyl]-N'-phenylpropane-1,3-diamine is COc1cccc(CN(CCCN)c2ccccc2)c1.
What is the InChIKey of N'-[(3-methoxyphenyl)methyl]-N'-phenylpropane-1,3-diamine?
The InChIKey is OSUSAXKMGQNLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-20-17-10-5-7-15(13-17)14-19(12-6-11-18)16-8-3-2-4-9-16/h2-5,7-10,13H,6,11-12,14,18H2,1H3.
What are the key properties of N'-[(3-methoxyphenyl)methyl]-N'-phenylpropane-1,3-diamine?
N'-[(3-methoxyphenyl)methyl]-N'-phenylpropane-1,3-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methoxyphenyl)methyl]-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 28770483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).