3-[dimethylamino-(4-methoxy-2,3-dimethylphenyl)methyl]cyclobutan-1-amine

C16H26N2O — CID 116907317

IUPAC3-[dimethylamino-(4-methoxy-2,3-dimethylphenyl)methyl]cyclobutan-1-amine
SMILESCOc1ccc(C(C2CC(N)C2)N(C)C)c(C)c1C
InChIInChI=1S/C16H26N2O/c1-10-11(2)15(19-5)7-6-14(10)16(18(3)4)12-8-13(17)9-12/h6-7,12-13,16H,8-9,17H2,1-5H3
InChIKeyRLTCIJHDPMIVBN-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.65
Rot. Bonds4

About 3-[dimethylamino-(4-methoxy-2,3-dimethylphenyl)methyl]cyclobutan-1-amine

3-[dimethylamino-(4-methoxy-2,3-dimethylphenyl)methyl]cyclobutan-1-amine (PubChem CID 116907317) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[dimethylamino-(4-methoxy-2,3-dimethylphenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[dimethylamino-(4-methoxy-2,3-dimethylphenyl)methyl]cyclobutan-1-amine
PubChem CID116907317
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[dimethylamino-(4-methoxy-2,3-dimethylphenyl)methyl]cyclobutan-1-amine
SMILESCOc1ccc(C(C2CC(N)C2)N(C)C)c(C)c1C
InChIInChI=1S/C16H26N2O/c1-10-11(2)15(19-5)7-6-14(10)16(18(3)4)12-8-13(17)9-12/h6-7,12-13,16H,8-9,17H2,1-5H3
InChIKeyRLTCIJHDPMIVBN-UHFFFAOYSA-N
XLogP2.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[dimethylamino-(4-methoxy-2,3-dimethylphenyl)methyl]cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylmethanamine
CID 116914495
3-[dimethylamino-(3-ethyl-4-methoxyphenyl)methyl]cyclobutan-1-amine
CID 116907304
1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylethanamine
CID 116914636
3-[dimethylamino-(4-ethoxy-3-methylphenyl)methyl]cyclobutan-1-amine
CID 116907306
1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-amine
CID 69186784
3-[dimethylamino-(3-methoxyphenyl)methyl]cyclobutan-1-amine
CID 116907348
2-amino-3-(dimethylamino)-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 116911478
1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-4-ylethanamine
CID 116936485
3-amino-N-(4-methoxy-2,3-dimethylphenyl)-N-methylcyclobutane-1-carboxamide
CID 115161427
2-(dimethylamino)-2-(4-methoxy-2,3-dimethylphenyl)acetic acid
CID 82476697
1-amino-1-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-2-ol
CID 116942110
2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol
CID 117284779

Frequently Asked Questions

What is the IUPAC name of 3-[dimethylamino-(4-methoxy-2,3-dimethylphenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-[dimethylamino-(4-methoxy-2,3-dimethylphenyl)methyl]cyclobutan-1-amine (CID 116907317) is 3-[dimethylamino-(4-methoxy-2,3-dimethylphenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[dimethylamino-(4-methoxy-2,3-dimethylphenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[dimethylamino-(4-methoxy-2,3-dimethylphenyl)methyl]cyclobutan-1-amine is COc1ccc(C(C2CC(N)C2)N(C)C)c(C)c1C.
What is the InChIKey of 3-[dimethylamino-(4-methoxy-2,3-dimethylphenyl)methyl]cyclobutan-1-amine?
The InChIKey is RLTCIJHDPMIVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-10-11(2)15(19-5)7-6-14(10)16(18(3)4)12-8-13(17)9-12/h6-7,12-13,16H,8-9,17H2,1-5H3.
What are the key properties of 3-[dimethylamino-(4-methoxy-2,3-dimethylphenyl)methyl]cyclobutan-1-amine?
3-[dimethylamino-(4-methoxy-2,3-dimethylphenyl)methyl]cyclobutan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethylamino-(4-methoxy-2,3-dimethylphenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 116907317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).