1-(4-cyclobutylphenyl)-2-methoxy-N-methylbutan-1-amine

C16H25NO — CID 116715464

IUPAC1-(4-cyclobutylphenyl)-2-methoxy-N-methylbutan-1-amine
SMILESCCC(OC)C(NC)c1ccc(C2CCC2)cc1
InChIInChI=1S/C16H25NO/c1-4-15(18-3)16(17-2)14-10-8-13(9-11-14)12-6-5-7-12/h8-12,15-17H,4-7H2,1-3H3
InChIKeyVDFIZXYGNIUBON-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.64
Rot. Bonds6

About 1-(4-cyclobutylphenyl)-2-methoxy-N-methylbutan-1-amine

1-(4-cyclobutylphenyl)-2-methoxy-N-methylbutan-1-amine (PubChem CID 116715464) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-2-methoxy-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-2-methoxy-N-methylbutan-1-amine
PubChem CID116715464
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(4-cyclobutylphenyl)-2-methoxy-N-methylbutan-1-amine
SMILESCCC(OC)C(NC)c1ccc(C2CCC2)cc1
InChIInChI=1S/C16H25NO/c1-4-15(18-3)16(17-2)14-10-8-13(9-11-14)12-6-5-7-12/h8-12,15-17H,4-7H2,1-3H3
InChIKeyVDFIZXYGNIUBON-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclobutylphenyl)-2-methoxy-N-methylpentan-1-amine
CID 114604710
[1-(4-cyclobutylphenyl)-2-ethylbutyl]hydrazine
CID 105338100
1-(4-cyclobutylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757700
1-(4-cyclobutylphenyl)-2-methylbutan-1-amine
CID 116506106
1-(4-cyclobutylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 116505983
1-(4-cyclohexylphenyl)-N,N'-dimethylmethanediamine
CID 116954314
1-(4-cyclobutylphenyl)-2-cyclopentyl-N-methylethanamine
CID 105045068
[1-(4-cyclobutylphenyl)-2-methylpentyl]hydrazine
CID 105338181
[4-(1-methoxyethyl)phenyl]cycloheptane
CID 143858990
1-(4-cyclohexylphenyl)-N-methylethanamine
CID 43484988
1-(4-cyclobutylphenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 116506276
1-(4-cyclobutylphenyl)-3-methoxybutan-1-amine
CID 116506443

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-2-methoxy-N-methylbutan-1-amine?
The IUPAC name of 1-(4-cyclobutylphenyl)-2-methoxy-N-methylbutan-1-amine (CID 116715464) is 1-(4-cyclobutylphenyl)-2-methoxy-N-methylbutan-1-amine.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-2-methoxy-N-methylbutan-1-amine?
The canonical SMILES for 1-(4-cyclobutylphenyl)-2-methoxy-N-methylbutan-1-amine is CCC(OC)C(NC)c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-2-methoxy-N-methylbutan-1-amine?
The InChIKey is VDFIZXYGNIUBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-15(18-3)16(17-2)14-10-8-13(9-11-14)12-6-5-7-12/h8-12,15-17H,4-7H2,1-3H3.
What are the key properties of 1-(4-cyclobutylphenyl)-2-methoxy-N-methylbutan-1-amine?
1-(4-cyclobutylphenyl)-2-methoxy-N-methylbutan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-2-methoxy-N-methylbutan-1-amine is sourced from PubChem (CID 116715464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).