3-(4-methoxyphenyl)-N-octylcyclobutan-1-amine

C19H31NO — CID 115566490

IUPAC3-(4-methoxyphenyl)-N-octylcyclobutan-1-amine
SMILESCCCCCCCCNC1CC(c2ccc(OC)cc2)C1
InChIInChI=1S/C19H31NO/c1-3-4-5-6-7-8-13-20-18-14-17(15-18)16-9-11-19(21-2)12-10-16/h9-12,17-18,20H,3-8,13-15H2,1-2H3
InChIKeyVQWYPZZATWNTJN-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.89
Rot. Bonds10

About 3-(4-methoxyphenyl)-N-octylcyclobutan-1-amine

3-(4-methoxyphenyl)-N-octylcyclobutan-1-amine (PubChem CID 115566490) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-octylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-octylcyclobutan-1-amine
PubChem CID115566490
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name3-(4-methoxyphenyl)-N-octylcyclobutan-1-amine
SMILESCCCCCCCCNC1CC(c2ccc(OC)cc2)C1
InChIInChI=1S/C19H31NO/c1-3-4-5-6-7-8-13-20-18-14-17(15-18)16-9-11-19(21-2)12-10-16/h9-12,17-18,20H,3-8,13-15H2,1-2H3
InChIKeyVQWYPZZATWNTJN-UHFFFAOYSA-N
XLogP4.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[3-(4-methoxyphenyl)cyclobutyl]propane-1,3-diamine
CID 60887983
N-hex-5-ynyl-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 106209695
3-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]cyclobutan-1-amine
CID 43634596
N-butyl-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633076
N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 60920137
N-hexan-2-yl-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 62199823
2-[[3-(4-methoxyphenyl)cyclobutyl]amino]ethylurea
CID 83109435
3-(4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 114465904
1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol
CID 43635449
3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)cyclobutan-1-amine
CID 43633750
3-(4-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
CID 61039964
N-hexyl-3-methoxycyclobutan-1-amine
CID 104870767

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-octylcyclobutan-1-amine?
The IUPAC name of 3-(4-methoxyphenyl)-N-octylcyclobutan-1-amine (CID 115566490) is 3-(4-methoxyphenyl)-N-octylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-octylcyclobutan-1-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-N-octylcyclobutan-1-amine is CCCCCCCCNC1CC(c2ccc(OC)cc2)C1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-octylcyclobutan-1-amine?
The InChIKey is VQWYPZZATWNTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-4-5-6-7-8-13-20-18-14-17(15-18)16-9-11-19(21-2)12-10-16/h9-12,17-18,20H,3-8,13-15H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-N-octylcyclobutan-1-amine?
3-(4-methoxyphenyl)-N-octylcyclobutan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.89, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-octylcyclobutan-1-amine is sourced from PubChem (CID 115566490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).