3-(3-methoxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine

C18H22N2O — CID 62997574

IUPAC3-(3-methoxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine
SMILESCOc1cccc(C2CC(NCc3ccc(C)nc3)C2)c1
InChIInChI=1S/C18H22N2O/c1-13-6-7-14(11-19-13)12-20-17-8-16(9-17)15-4-3-5-18(10-15)21-2/h3-7,10-11,16-17,20H,8-9,12H2,1-2H3
InChIKeyPJZVHLAAAZYKMU-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.43
Rot. Bonds5

About 3-(3-methoxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine

3-(3-methoxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine (PubChem CID 62997574) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine
PubChem CID62997574
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-(3-methoxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine
SMILESCOc1cccc(C2CC(NCc3ccc(C)nc3)C2)c1
InChIInChI=1S/C18H22N2O/c1-13-6-7-14(11-19-13)12-20-17-8-16(9-17)15-4-3-5-18(10-15)21-2/h3-7,10-11,16-17,20H,8-9,12H2,1-2H3
InChIKeyPJZVHLAAAZYKMU-UHFFFAOYSA-N
XLogP3.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine
CID 62997224
3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]benzoic acid
CID 122035121
2-[1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol
CID 114756110
N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855
N-(2,3-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 64569258
N-(2,2-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 103699490
3-(3-methoxyphenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine
CID 63981363
1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 65105160
3-(3-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 63238922
3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]pentan-3-ol
CID 65107986
N'-cyclopropyl-N-[3-(3-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine
CID 62975535
N-[2-[[3-(3-methoxyphenyl)cyclobutyl]amino]ethyl]methanesulfonamide
CID 43634854

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(3-methoxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine (CID 62997574) is 3-(3-methoxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine is COc1cccc(C2CC(NCc3ccc(C)nc3)C2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine?
The InChIKey is PJZVHLAAAZYKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-6-7-14(11-19-13)12-20-17-8-16(9-17)15-4-3-5-18(10-15)21-2/h3-7,10-11,16-17,20H,8-9,12H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine?
3-(3-methoxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine has a molecular weight of 282.39 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 62997574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).