N'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine

C18H32N2O — CID 43319172

IUPACN'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine
SMILESCCCCCCCCN(CCCN)c1ccccc1OC
InChIInChI=1S/C18H32N2O/c1-3-4-5-6-7-10-15-20(16-11-14-19)17-12-8-9-13-18(17)21-2/h8-9,12-13H,3-7,10-11,14-16,19H2,1-2H3
InChIKeyFJOCFRIGMKAJCU-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.21
Rot. Bonds12

About N'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine

N'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine (PubChem CID 43319172) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine
PubChem CID43319172
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine
SMILESCCCCCCCCN(CCCN)c1ccccc1OC
InChIInChI=1S/C18H32N2O/c1-3-4-5-6-7-10-15-20(16-11-14-19)17-12-8-9-13-18(17)21-2/h8-9,12-13H,3-7,10-11,14-16,19H2,1-2H3
InChIKeyFJOCFRIGMKAJCU-UHFFFAOYSA-N
XLogP4.21
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.21
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

2-methoxy-N,N-di(pentadecyl)aniline
CID 139723453
N,N-dihexyl-2-methoxyaniline
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CID 81106907
N'-(3,3-dimethylbutyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
CID 61481368
4-[N-(3-aminopropyl)-2-methoxyanilino]-2-methylbutan-2-ol
CID 79359732
3-(2-methoxy-N-pentylanilino)propanoic acid
CID 82318150
N,N-dioctadecyl-2-phenoxyaniline
CID 139724057
N,N-dioctyl-2-phenoxyaniline
CID 139723274
2-phenoxy-N,N-di(tridecyl)aniline
CID 139723702
N'-(2-methoxyphenyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine
CID 28770871
N'-(2-methoxyphenyl)-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
CID 65159037
N'-(2-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79262674

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine?
The IUPAC name of N'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine (CID 43319172) is N'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine?
The canonical SMILES for N'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine is CCCCCCCCN(CCCN)c1ccccc1OC.
What is the InChIKey of N'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine?
The InChIKey is FJOCFRIGMKAJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-3-4-5-6-7-10-15-20(16-11-14-19)17-12-8-9-13-18(17)21-2/h8-9,12-13H,3-7,10-11,14-16,19H2,1-2H3.
What are the key properties of N'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine?
N'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine has a molecular weight of 292.47 g/mol, XLogP of 4.21, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine is sourced from PubChem (CID 43319172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).