1-(4-cyclobutylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine

C17H27NO — CID 116757700

IUPAC1-(4-cyclobutylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
SMILESCCC(C)(OC)C(NC)c1ccc(C2CCC2)cc1
InChIInChI=1S/C17H27NO/c1-5-17(2,19-4)16(18-3)15-11-9-14(10-12-15)13-7-6-8-13/h9-13,16,18H,5-8H2,1-4H3
InChIKeyHEUTUVGWWIALQT-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.03
Rot. Bonds6

About 1-(4-cyclobutylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine

1-(4-cyclobutylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine (PubChem CID 116757700) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
PubChem CID116757700
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(4-cyclobutylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
SMILESCCC(C)(OC)C(NC)c1ccc(C2CCC2)cc1
InChIInChI=1S/C17H27NO/c1-5-17(2,19-4)16(18-3)15-11-9-14(10-12-15)13-7-6-8-13/h9-13,16,18H,5-8H2,1-4H3
InChIKeyHEUTUVGWWIALQT-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclobutylphenyl)-2-methoxy-N-methylbutan-1-amine
CID 116715464
[1-(4-cyclobutylphenyl)-2-ethylbutyl]hydrazine
CID 105338100
1-(4-cyclobutylphenyl)-2-cyclopentyl-N-methylethanamine
CID 105045068
1-(4-cyclobutylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 116505983
1-(4-cyclobutylphenyl)-2-(dimethylamino)-2-methylbutan-1-ol
CID 116505815
1-(4-cyclobutylphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
CID 116506268
1-(4-cyclohexylphenyl)-N,N'-dimethylmethanediamine
CID 116954314
2-ethoxy-1-(4-ethylphenyl)-N,2-dimethylbutan-1-amine
CID 116758813
1-(cyclohepten-1-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 106654542
1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 106654544
2-(4-cyclobutylphenyl)butan-2-ol
CID 116505233
1-(4-cyclohexylphenyl)-N-methylethanamine
CID 43484988

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine?
The IUPAC name of 1-(4-cyclobutylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine (CID 116757700) is 1-(4-cyclobutylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(4-cyclobutylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine is CCC(C)(OC)C(NC)c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine?
The InChIKey is HEUTUVGWWIALQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-17(2,19-4)16(18-3)15-11-9-14(10-12-15)13-7-6-8-13/h9-13,16,18H,5-8H2,1-4H3.
What are the key properties of 1-(4-cyclobutylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine?
1-(4-cyclobutylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.03, 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,2-dimethylbutan-1-amine is sourced from PubChem (CID 116757700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).