N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine

C15H24N2O — CID 55071227

IUPACN-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
SMILESCOc1ccc(CN(C)CCCNC2CC2)cc1
InChIInChI=1S/C15H24N2O/c1-17(11-3-10-16-14-6-7-14)12-13-4-8-15(18-2)9-5-13/h4-5,8-9,14,16H,3,6-7,10-12H2,1-2H3
InChIKeyRFAHPLPMZIDCAG-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.27
Rot. Bonds8

About N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine

N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine (PubChem CID 55071227) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
PubChem CID55071227
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
SMILESCOc1ccc(CN(C)CCCNC2CC2)cc1
InChIInChI=1S/C15H24N2O/c1-17(11-3-10-16-14-6-7-14)12-13-4-8-15(18-2)9-5-13/h4-5,8-9,14,16H,3,6-7,10-12H2,1-2H3
InChIKeyRFAHPLPMZIDCAG-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.27
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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Related Compounds

N-cyclopentyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62563443
N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine
CID 62435033
N-cycloheptyl-N'-[(4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62575486
N'-benzyl-N'-methyl-N-(4-methylcyclohexyl)propane-1,3-diamine
CID 29287205
3-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 61417517
1-(cyclopropylamino)-3-[(4-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 61420561
N'-benzyl-N'-methyl-N-piperidin-4-ylpropane-1,3-diamine
CID 54903001
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
9-[(4-methoxyphenyl)methyl-methylamino]nonane-1-thiol
CID 105344151
4-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]butane-1-sulfonamide
CID 106058743
N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine
CID 62435035
N-[3-[(4-methoxyphenyl)methoxy]butyl]cyclopropanamine
CID 114996272

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine (CID 55071227) is N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine is COc1ccc(CN(C)CCCNC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine?
The InChIKey is RFAHPLPMZIDCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-17(11-3-10-16-14-6-7-14)12-13-4-8-15(18-2)9-5-13/h4-5,8-9,14,16H,3,6-7,10-12H2,1-2H3.
What are the key properties of N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine?
N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 55071227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).