N'-(3-methoxypropyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine

C15H26N2O — CID 55140895

IUPACN'-(3-methoxypropyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine
SMILESCNC(CCN(C)CCCOC)c1ccccc1
InChIInChI=1S/C15H26N2O/c1-16-15(14-8-5-4-6-9-14)10-12-17(2)11-7-13-18-3/h4-6,8-9,15-16H,7,10-13H2,1-3H3
InChIKeyIFYZEYGCXJASPD-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.31
Rot. Bonds9

About N'-(3-methoxypropyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine

N'-(3-methoxypropyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine (PubChem CID 55140895) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-(3-methoxypropyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-methoxypropyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine
PubChem CID55140895
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-(3-methoxypropyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine
SMILESCNC(CCN(C)CCCOC)c1ccccc1
InChIInChI=1S/C15H26N2O/c1-16-15(14-8-5-4-6-9-14)10-12-17(2)11-7-13-18-3/h4-6,8-9,15-16H,7,10-13H2,1-3H3
InChIKeyIFYZEYGCXJASPD-UHFFFAOYSA-N
XLogP2.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.31
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'-(3-methoxypropyl)-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 63008472
1-methoxy-3-[methyl-[3-(methylamino)-3-phenylpropyl]amino]propan-2-ol
CID 62612299
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-methyl-1-phenylpropane-1,3-diamine
CID 62613937
N-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 63009908
1-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine
CID 62984826
1-(2-bromophenyl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine
CID 63009011
N'-[3-(dimethylamino)propyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 63699665
N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylhexyl)ethane-1,2-diamine
CID 62844664
2-amino-N-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-phenylacetamide
CID 119892857
3-[3-methoxypropyl(methyl)amino]-2-phenylpropanehydrazide
CID 64566055
N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylbutyl)ethane-1,2-diamine
CID 62844460
3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine
CID 87013054

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxypropyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-(3-methoxypropyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine (CID 55140895) is N'-(3-methoxypropyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-methoxypropyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-(3-methoxypropyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine is CNC(CCN(C)CCCOC)c1ccccc1.
What is the InChIKey of N'-(3-methoxypropyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine?
The InChIKey is IFYZEYGCXJASPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-16-15(14-8-5-4-6-9-14)10-12-17(2)11-7-13-18-3/h4-6,8-9,15-16H,7,10-13H2,1-3H3.
What are the key properties of N'-(3-methoxypropyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine?
N'-(3-methoxypropyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxypropyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 55140895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).