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

C16H26N2O — CID 115214290

IUPAC3-[[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]methyl]cyclobutan-1-amine
SMILESCOc1ccc(CCNCC2CC(N)C2)c(C)c1C
InChIInChI=1S/C16H26N2O/c1-11-12(2)16(19-3)5-4-14(11)6-7-18-10-13-8-15(17)9-13/h4-5,13,15,18H,6-10,17H2,1-3H3
InChIKeyCQXOLXSNTLAGJE-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.18
Rot. Bonds6

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

3-[[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]methyl]cyclobutan-1-amine (PubChem CID 115214290) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]methyl]cyclobutan-1-amine
PubChem CID115214290
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]methyl]cyclobutan-1-amine
SMILESCOc1ccc(CCNCC2CC(N)C2)c(C)c1C
InChIInChI=1S/C16H26N2O/c1-11-12(2)16(19-3)5-4-14(11)6-7-18-10-13-8-15(17)9-13/h4-5,13,15,18H,6-10,17H2,1-3H3
InChIKeyCQXOLXSNTLAGJE-UHFFFAOYSA-N
XLogP2.18
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]ethanethiol
CID 115224240
1-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropan-2-ol
CID 98016298
1-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butane-1,3-diamine
CID 115199539
3-[[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methyl]cyclobutan-1-amine
CID 115214323
4-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclohexan-1-amine
CID 115213507
3-[(2-naphthalen-1-ylethylamino)methyl]cyclobutan-1-amine
CID 115214333
1-N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136159
N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-4-amine
CID 115118464
2-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropanoic acid
CID 115128091
N-[(3-aminocyclobutyl)methyl]-2-methoxy-4,5-dimethylaniline
CID 115213789
3-amino-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butanamide
CID 115154347
methyl 4-(4-methoxy-2,3-dimethylphenyl)butanoate
CID 98784005

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]methyl]cyclobutan-1-amine?
The IUPAC name of 3-[[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]methyl]cyclobutan-1-amine (CID 115214290) is 3-[[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]methyl]cyclobutan-1-amine is COc1ccc(CCNCC2CC(N)C2)c(C)c1C.
What is the InChIKey of 3-[[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]methyl]cyclobutan-1-amine?
The InChIKey is CQXOLXSNTLAGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-12(2)16(19-3)5-4-14(11)6-7-18-10-13-8-15(17)9-13/h4-5,13,15,18H,6-10,17H2,1-3H3.
What are the key properties of 3-[[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]methyl]cyclobutan-1-amine?
3-[[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]methyl]cyclobutan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 115214290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).