1-(4-butoxyphenyl)-4-methoxy-N,4-dimethylpentan-1-amine

C18H31NO2 — CID 103032329

IUPAC1-(4-butoxyphenyl)-4-methoxy-N,4-dimethylpentan-1-amine
SMILESCCCCOc1ccc(C(CCC(C)(C)OC)NC)cc1
InChIInChI=1S/C18H31NO2/c1-6-7-14-21-16-10-8-15(9-11-16)17(19-4)12-13-18(2,3)20-5/h8-11,17,19H,6-7,12-14H2,1-5H3
InChIKeyJXGSIJMJMYUMDF-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.33
Rot. Bonds10

About 1-(4-butoxyphenyl)-4-methoxy-N,4-dimethylpentan-1-amine

1-(4-butoxyphenyl)-4-methoxy-N,4-dimethylpentan-1-amine (PubChem CID 103032329) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-4-methoxy-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-4-methoxy-N,4-dimethylpentan-1-amine
PubChem CID103032329
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-(4-butoxyphenyl)-4-methoxy-N,4-dimethylpentan-1-amine
SMILESCCCCOc1ccc(C(CCC(C)(C)OC)NC)cc1
InChIInChI=1S/C18H31NO2/c1-6-7-14-21-16-10-8-15(9-11-16)17(19-4)12-13-18(2,3)20-5/h8-11,17,19H,6-7,12-14H2,1-5H3
InChIKeyJXGSIJMJMYUMDF-UHFFFAOYSA-N
XLogP4.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.33
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

1-(4-ethoxyphenyl)-N-methylpentan-1-amine
CID 43481859
1-(4-butoxyphenyl)-N-methylhex-4-yn-1-amine
CID 105181567
1-[4-(3-methoxy-3-methylbutoxy)phenyl]-N-methylethanamine
CID 103032686
1-(4-ethoxyphenyl)-N-methylheptan-1-amine
CID 114752328
N,4-dimethyl-1-(4-propoxyphenyl)pentan-1-amine
CID 62795609
1-(4-butoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 105146068
1-(3,5-dibromophenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 114023299
2-methoxy-N,2-dimethylnonan-5-amine
CID 103031216
1-(4-butoxyphenyl)pentylhydrazine
CID 105293831
1-(4-tert-butylphenyl)-N-methylpentan-1-amine
CID 43484403
1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028805
N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine
CID 63425079

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-4-methoxy-N,4-dimethylpentan-1-amine?
The IUPAC name of 1-(4-butoxyphenyl)-4-methoxy-N,4-dimethylpentan-1-amine (CID 103032329) is 1-(4-butoxyphenyl)-4-methoxy-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(4-butoxyphenyl)-4-methoxy-N,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(4-butoxyphenyl)-4-methoxy-N,4-dimethylpentan-1-amine is CCCCOc1ccc(C(CCC(C)(C)OC)NC)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-4-methoxy-N,4-dimethylpentan-1-amine?
The InChIKey is JXGSIJMJMYUMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-6-7-14-21-16-10-8-15(9-11-16)17(19-4)12-13-18(2,3)20-5/h8-11,17,19H,6-7,12-14H2,1-5H3.
What are the key properties of 1-(4-butoxyphenyl)-4-methoxy-N,4-dimethylpentan-1-amine?
1-(4-butoxyphenyl)-4-methoxy-N,4-dimethylpentan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.33, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-4-methoxy-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 103032329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).