N-(2,3-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine

C17H27NO — CID 64569258

IUPACN-(2,3-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
SMILESCOc1cccc(C2CC(NCC(C)C(C)C)C2)c1
InChIInChI=1S/C17H27NO/c1-12(2)13(3)11-18-16-8-15(9-16)14-6-5-7-17(10-14)19-4/h5-7,10,12-13,15-16,18H,8-9,11H2,1-4H3
InChIKeyWMJYJQCNTCIMPD-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.82
Rot. Bonds6

About N-(2,3-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine

N-(2,3-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine (PubChem CID 64569258) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
PubChem CID64569258
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-(2,3-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
SMILESCOc1cccc(C2CC(NCC(C)C(C)C)C2)c1
InChIInChI=1S/C17H27NO/c1-12(2)13(3)11-18-16-8-15(9-16)14-6-5-7-17(10-14)19-4/h5-7,10,12-13,15-16,18H,8-9,11H2,1-4H3
InChIKeyWMJYJQCNTCIMPD-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-methoxyphenyl)-1-methyl-N-(2-methylpropyl)piperidin-3-amine
CID 83994161
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CID 106434840
N-(2,2-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 103699490
3-(3-methoxyphenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine
CID 63981363
3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]pentan-3-ol
CID 65107986
3-(3-methoxyphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
CID 103902325
N-[2-[[3-(3-methoxyphenyl)cyclobutyl]amino]ethyl]methanesulfonamide
CID 43634854
N'-cyclopropyl-N-[3-(3-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine
CID 62975535
1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 65105160
2-[1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol
CID 114756110
3-(3-methoxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine
CID 62997574
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine?
The IUPAC name of N-(2,3-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine (CID 64569258) is N-(2,3-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-(2,3-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine?
The canonical SMILES for N-(2,3-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine is COc1cccc(C2CC(NCC(C)C(C)C)C2)c1.
What is the InChIKey of N-(2,3-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine?
The InChIKey is WMJYJQCNTCIMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12(2)13(3)11-18-16-8-15(9-16)14-6-5-7-17(10-14)19-4/h5-7,10,12-13,15-16,18H,8-9,11H2,1-4H3.
What are the key properties of N-(2,3-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine?
N-(2,3-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine is sourced from PubChem (CID 64569258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).