1-N-(4-methoxyphenyl)-1-N,4-N-dimethylhexane-1,4-diamine

C15H26N2O — CID 106799672

IUPAC1-N-(4-methoxyphenyl)-1-N,4-N-dimethylhexane-1,4-diamine
SMILESCCC(CCCN(C)c1ccc(OC)cc1)NC
InChIInChI=1S/C15H26N2O/c1-5-13(16-2)7-6-12-17(3)14-8-10-15(18-4)11-9-14/h8-11,13,16H,5-7,12H2,1-4H3
InChIKeyFRRFVTGVQFPPBO-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.91
Rot. Bonds8

About 1-N-(4-methoxyphenyl)-1-N,4-N-dimethylhexane-1,4-diamine

1-N-(4-methoxyphenyl)-1-N,4-N-dimethylhexane-1,4-diamine (PubChem CID 106799672) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-N-(4-methoxyphenyl)-1-N,4-N-dimethylhexane-1,4-diamine.

Molecular Properties

Compound Name1-N-(4-methoxyphenyl)-1-N,4-N-dimethylhexane-1,4-diamine
PubChem CID106799672
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-N-(4-methoxyphenyl)-1-N,4-N-dimethylhexane-1,4-diamine
SMILESCCC(CCCN(C)c1ccc(OC)cc1)NC
InChIInChI=1S/C15H26N2O/c1-5-13(16-2)7-6-12-17(3)14-8-10-15(18-4)11-9-14/h8-11,13,16H,5-7,12H2,1-4H3
InChIKeyFRRFVTGVQFPPBO-UHFFFAOYSA-N
XLogP2.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

Phenacetin
CID 4754
P-Anisidine
CID 7732
N-(4-Methoxyphenyl)Acetamide
CID 5827
4,4'-Dimethoxydiphenylamine
CID 7571
4-Isopropoxydiphenylamine
CID 7574
4'-Methoxyacetoacetanilide
CID 21576
1-(4-Methoxyphenyl)piperazine
CID 269722
1-(2-Methoxyphenyl)piperazine
CID 1346
N-(3-methoxyphenyl)piperazine
CID 81430
4-Thioureidoanisole
CID 667549
1-(2-Ethoxyphenyl)piperazine
CID 83357
2-(N-hydroxyimino)-N-(4-methoxyphenyl)acetamide
CID 6411017

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methoxyphenyl)-1-N,4-N-dimethylhexane-1,4-diamine?
The IUPAC name of 1-N-(4-methoxyphenyl)-1-N,4-N-dimethylhexane-1,4-diamine (CID 106799672) is 1-N-(4-methoxyphenyl)-1-N,4-N-dimethylhexane-1,4-diamine.
What is the SMILES notation for 1-N-(4-methoxyphenyl)-1-N,4-N-dimethylhexane-1,4-diamine?
The canonical SMILES for 1-N-(4-methoxyphenyl)-1-N,4-N-dimethylhexane-1,4-diamine is CCC(CCCN(C)c1ccc(OC)cc1)NC.
What is the InChIKey of 1-N-(4-methoxyphenyl)-1-N,4-N-dimethylhexane-1,4-diamine?
The InChIKey is FRRFVTGVQFPPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-13(16-2)7-6-12-17(3)14-8-10-15(18-4)11-9-14/h8-11,13,16H,5-7,12H2,1-4H3.
What are the key properties of 1-N-(4-methoxyphenyl)-1-N,4-N-dimethylhexane-1,4-diamine?
1-N-(4-methoxyphenyl)-1-N,4-N-dimethylhexane-1,4-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methoxyphenyl)-1-N,4-N-dimethylhexane-1,4-diamine is sourced from PubChem (CID 106799672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).