(4-methoxy-2,3-dimethylphenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine

C16H26N2O — CID 116943979

IUPAC(4-methoxy-2,3-dimethylphenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine
SMILESCNCC1(C(N)c2ccc(OC)c(C)c2C)CCC1
InChIInChI=1S/C16H26N2O/c1-11-12(2)14(19-4)7-6-13(11)15(17)16(10-18-3)8-5-9-16/h6-7,15,18H,5,8-10,17H2,1-4H3
InChIKeyDHOKRHMPAKHGDV-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.70
Rot. Bonds5

About (4-methoxy-2,3-dimethylphenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine

(4-methoxy-2,3-dimethylphenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine (PubChem CID 116943979) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (4-methoxy-2,3-dimethylphenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name(4-methoxy-2,3-dimethylphenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine
PubChem CID116943979
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(4-methoxy-2,3-dimethylphenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine
SMILESCNCC1(C(N)c2ccc(OC)c(C)c2C)CCC1
InChIInChI=1S/C16H26N2O/c1-11-12(2)14(19-4)7-6-13(11)15(17)16(10-18-3)8-5-9-16/h6-7,15,18H,5,8-10,17H2,1-4H3
InChIKeyDHOKRHMPAKHGDV-UHFFFAOYSA-N
XLogP2.70
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943513
(2,4-difluorophenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine
CID 116943971
(5-chloro-4-methoxy-2-methylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943544
[1-(methylaminomethyl)cyclobutyl]-(2-methyl-5-propan-2-ylphenyl)methanamine
CID 116943982
N'-ethyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine
CID 116934913
[1-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropyl]methanol
CID 116958294
1-(4-methoxy-2,3-dimethylphenyl)-2-methylsulfanylethanamine
CID 116830301
[1-(methylaminomethyl)cyclobutyl]-(2,4,6-trimethylphenyl)methanamine
CID 116943957
N'-cyclopropyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine
CID 116935200
[1-(aminomethyl)cyclobutyl]-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116943845
2-(4-methoxy-2,3-dimethylphenyl)-N-methylbutan-1-amine
CID 116964709
N-[[1-(aminomethyl)cyclobutyl]methyl]-2,4-dimethoxy-3-methylaniline
CID 115245612

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2,3-dimethylphenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine?
The IUPAC name of (4-methoxy-2,3-dimethylphenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine (CID 116943979) is (4-methoxy-2,3-dimethylphenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine.
What is the SMILES notation for (4-methoxy-2,3-dimethylphenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine?
The canonical SMILES for (4-methoxy-2,3-dimethylphenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine is CNCC1(C(N)c2ccc(OC)c(C)c2C)CCC1.
What is the InChIKey of (4-methoxy-2,3-dimethylphenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine?
The InChIKey is DHOKRHMPAKHGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-12(2)14(19-4)7-6-13(11)15(17)16(10-18-3)8-5-9-16/h6-7,15,18H,5,8-10,17H2,1-4H3.
What are the key properties of (4-methoxy-2,3-dimethylphenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine?
(4-methoxy-2,3-dimethylphenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine has a molecular weight of 262.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2,3-dimethylphenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine is sourced from PubChem (CID 116943979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).