[1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclobutyl]methanamine

C17H27NO — CID 117408710

IUPAC[1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclobutyl]methanamine
SMILESCOc1c(C)cc(C2(CN)CCC2)cc1C(C)(C)C
InChIInChI=1S/C17H27NO/c1-12-9-13(17(11-18)7-6-8-17)10-14(15(12)19-5)16(2,3)4/h9-10H,6-8,11,18H2,1-5H3
InChIKeyCWSBKYZYFIORGE-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.68
Rot. Bonds3

About [1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclobutyl]methanamine

[1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclobutyl]methanamine (PubChem CID 117408710) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclobutyl]methanamine
PubChem CID117408710
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclobutyl]methanamine
SMILESCOc1c(C)cc(C2(CN)CCC2)cc1C(C)(C)C
InChIInChI=1S/C17H27NO/c1-12-9-13(17(11-18)7-6-8-17)10-14(15(12)19-5)16(2,3)4/h9-10H,6-8,11,18H2,1-5H3
InChIKeyCWSBKYZYFIORGE-UHFFFAOYSA-N
XLogP3.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclopropyl]methanamine
CID 117372025
[1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117347260
1-tert-butyl-2-methoxy-3-methyl-5-(1-methylcyclopropyl)benzene
CID 58980632
[1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117467251
[1-(3-chloro-4-methoxy-5-methylphenyl)cyclopropyl]methanamine
CID 84790715
[1-(3-methoxy-4,5-dimethylphenyl)cyclobutyl]methanamine
CID 117312997
[1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclopropyl]methanamine
CID 117339009
[1-(3-tert-butyl-4-methoxyphenyl)cyclopropyl]methanamine
CID 82290284
[1-[3-(1,1-difluoroethyl)-2-methoxy-6-methylphenyl]cyclobutyl]methanamine
CID 117426610
[1-(3,5-dimethoxyphenyl)cyclopentyl]methanamine
CID 82026903
[1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117401401
[1-(3-bromo-4-methoxy-5-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117497551

Frequently Asked Questions

What is the IUPAC name of [1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclobutyl]methanamine (CID 117408710) is [1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclobutyl]methanamine is COc1c(C)cc(C2(CN)CCC2)cc1C(C)(C)C.
What is the InChIKey of [1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclobutyl]methanamine?
The InChIKey is CWSBKYZYFIORGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-9-13(17(11-18)7-6-8-17)10-14(15(12)19-5)16(2,3)4/h9-10H,6-8,11,18H2,1-5H3.
What are the key properties of [1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclobutyl]methanamine?
[1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclobutyl]methanamine has a molecular weight of 261.41 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 117408710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).