1-(4-cyclobutylphenyl)-3-methoxybutan-1-amine

C15H23NO — CID 116506443

IUPAC1-(4-cyclobutylphenyl)-3-methoxybutan-1-amine
SMILESCOC(C)CC(N)c1ccc(C2CCC2)cc1
InChIInChI=1S/C15H23NO/c1-11(17-2)10-15(16)14-8-6-13(7-9-14)12-4-3-5-12/h6-9,11-12,15H,3-5,10,16H2,1-2H3
InChIKeyUDAKPNOWQMPYDA-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.38
Rot. Bonds5

About 1-(4-cyclobutylphenyl)-3-methoxybutan-1-amine

1-(4-cyclobutylphenyl)-3-methoxybutan-1-amine (PubChem CID 116506443) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-3-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-3-methoxybutan-1-amine
PubChem CID116506443
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(4-cyclobutylphenyl)-3-methoxybutan-1-amine
SMILESCOC(C)CC(N)c1ccc(C2CCC2)cc1
InChIInChI=1S/C15H23NO/c1-11(17-2)10-15(16)14-8-6-13(7-9-14)12-4-3-5-12/h6-9,11-12,15H,3-5,10,16H2,1-2H3
InChIKeyUDAKPNOWQMPYDA-UHFFFAOYSA-N
XLogP3.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclohexylphenyl)-3-methylbutane-1,4-diamine
CID 116934155
1-(4-cyclobutylphenyl)-2-methylbutan-1-amine
CID 116506106
1-(4-cyclobutylphenyl)-3-ethoxypropan-1-amine
CID 105185330
1-(4-cyclobutylphenyl)-2-cyclopentylethanamine
CID 105044997
1-(4-cyclobutylphenyl)-2-methylsulfonylethanamine
CID 105044925
1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 77131240
(1R)-1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 66517695
[4-(1-methoxyethyl)phenyl]cycloheptane
CID 143858990
2-(4-cyclobutylphenyl)propan-1-amine
CID 116507054
(4-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
CID 116505877
[1-(3-cyclobutylphenyl)-3-methoxybutyl]hydrazine
CID 105266997
1-(4-cyclohexylphenyl)-3-methylbutane-1,3-diamine
CID 116933539

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-3-methoxybutan-1-amine?
The IUPAC name of 1-(4-cyclobutylphenyl)-3-methoxybutan-1-amine (CID 116506443) is 1-(4-cyclobutylphenyl)-3-methoxybutan-1-amine.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-3-methoxybutan-1-amine?
The canonical SMILES for 1-(4-cyclobutylphenyl)-3-methoxybutan-1-amine is COC(C)CC(N)c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-3-methoxybutan-1-amine?
The InChIKey is UDAKPNOWQMPYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(17-2)10-15(16)14-8-6-13(7-9-14)12-4-3-5-12/h6-9,11-12,15H,3-5,10,16H2,1-2H3.
What are the key properties of 1-(4-cyclobutylphenyl)-3-methoxybutan-1-amine?
1-(4-cyclobutylphenyl)-3-methoxybutan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-3-methoxybutan-1-amine is sourced from PubChem (CID 116506443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).