N-[(3-aminocyclobutyl)methyl]-2-methoxy-4,5-dimethylaniline

C14H22N2O — CID 115213789

IUPACN-[(3-aminocyclobutyl)methyl]-2-methoxy-4,5-dimethylaniline
SMILESCOc1cc(C)c(C)cc1NCC1CC(N)C1
InChIInChI=1S/C14H22N2O/c1-9-4-13(14(17-3)5-10(9)2)16-8-11-6-12(15)7-11/h4-5,11-12,16H,6-8,15H2,1-3H3
InChIKeyVVAOGLKFCGRUIC-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.46
Rot. Bonds4

About N-[(3-aminocyclobutyl)methyl]-2-methoxy-4,5-dimethylaniline

N-[(3-aminocyclobutyl)methyl]-2-methoxy-4,5-dimethylaniline (PubChem CID 115213789) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-2-methoxy-4,5-dimethylaniline.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-2-methoxy-4,5-dimethylaniline
PubChem CID115213789
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[(3-aminocyclobutyl)methyl]-2-methoxy-4,5-dimethylaniline
SMILESCOc1cc(C)c(C)cc1NCC1CC(N)C1
InChIInChI=1S/C14H22N2O/c1-9-4-13(14(17-3)5-10(9)2)16-8-11-6-12(15)7-11/h4-5,11-12,16H,6-8,15H2,1-3H3
InChIKeyVVAOGLKFCGRUIC-UHFFFAOYSA-N
XLogP2.46
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azetidin-3-ylmethyl)-2-methoxy-4,5-dimethylaniline
CID 115207226
N-[(4-aminocyclohexyl)methyl]-4-methoxy-2,5-dimethylaniline
CID 115213315
3-[[(5-chloro-4-methoxy-2-methylphenyl)methylamino]methyl]cyclobutan-1-amine
CID 115214074
3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclobutan-1-amine
CID 116926457
N-[(3-aminocyclobutyl)methyl]-4-methoxy-3-propan-2-ylaniline
CID 115213783
N-(2-chloroethyl)-2-methoxy-4,5-dimethylaniline
CID 115214578
3-[[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methyl]cyclobutan-1-amine
CID 115214323
N-(cyclopentylmethyl)-2-methoxy-5-methylaniline
CID 61344463
2-(2-methoxy-4,5-dimethylanilino)acetaldehyde
CID 115222617
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxy-4,5-dimethylaniline
CID 115245582
[3-[(2-methoxy-4,5-dimethylanilino)methyl]oxetan-3-yl]methanol
CID 115248783
3-[[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]methyl]cyclobutan-1-amine
CID 115214290

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-2-methoxy-4,5-dimethylaniline?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-2-methoxy-4,5-dimethylaniline (CID 115213789) is N-[(3-aminocyclobutyl)methyl]-2-methoxy-4,5-dimethylaniline.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-2-methoxy-4,5-dimethylaniline?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-2-methoxy-4,5-dimethylaniline is COc1cc(C)c(C)cc1NCC1CC(N)C1.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-2-methoxy-4,5-dimethylaniline?
The InChIKey is VVAOGLKFCGRUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-9-4-13(14(17-3)5-10(9)2)16-8-11-6-12(15)7-11/h4-5,11-12,16H,6-8,15H2,1-3H3.
What are the key properties of N-[(3-aminocyclobutyl)methyl]-2-methoxy-4,5-dimethylaniline?
N-[(3-aminocyclobutyl)methyl]-2-methoxy-4,5-dimethylaniline has a molecular weight of 234.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]-2-methoxy-4,5-dimethylaniline is sourced from PubChem (CID 115213789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).