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

C14H22N2O — CID 115213903

IUPACN-[(3-aminocyclobutyl)methyl]-2-methoxy-N,5-dimethylaniline
SMILESCOc1ccc(C)cc1N(C)CC1CC(N)C1
InChIInChI=1S/C14H22N2O/c1-10-4-5-14(17-3)13(6-10)16(2)9-11-7-12(15)8-11/h4-6,11-12H,7-9,15H2,1-3H3
InChIKeyNRCILIKWDDVCKK-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.18
Rot. Bonds4

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

N-[(3-aminocyclobutyl)methyl]-2-methoxy-N,5-dimethylaniline (PubChem CID 115213903) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-2-methoxy-N,5-dimethylaniline.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-2-methoxy-N,5-dimethylaniline
PubChem CID115213903
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[(3-aminocyclobutyl)methyl]-2-methoxy-N,5-dimethylaniline
SMILESCOc1ccc(C)cc1N(C)CC1CC(N)C1
InChIInChI=1S/C14H22N2O/c1-10-4-5-14(17-3)13(6-10)16(2)9-11-7-12(15)8-11/h4-6,11-12H,7-9,15H2,1-3H3
InChIKeyNRCILIKWDDVCKK-UHFFFAOYSA-N
XLogP2.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-aminocyclobutyl)methyl]-2,5-dimethoxy-N-methylaniline
CID 115213906
N-[(3-aminocyclobutyl)methyl]-N,2,5-trimethylaniline
CID 115213895
N-[(3-aminocyclobutyl)methyl]-N,2,4,5-tetramethylaniline
CID 115213957
N-ethyl-2-methoxy-N,5-dimethylaniline
CID 58577971
N'-(2-methoxy-5-methylphenyl)-N'-methylbutane-1,4-diamine
CID 94259004
1-amino-3-(2-methoxy-N,5-dimethylanilino)propan-2-one
CID 83822875
3-N-(2-methoxy-5-methylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119499
2-methoxy-N,4-dimethyl-N-(oxan-4-ylmethyl)aniline
CID 170279439
2-amino-3-(2-methoxy-N,5-dimethylanilino)propan-1-ol
CID 115120374
N-[(3-aminocyclobutyl)methyl]-N,3,4-trimethylaniline
CID 115213894
3-[[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]methyl]cyclobutan-1-amine
CID 115214350
2-amino-3-(2-methoxy-N,5-dimethylanilino)propanoic acid
CID 115240536

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-2-methoxy-N,5-dimethylaniline?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-2-methoxy-N,5-dimethylaniline (CID 115213903) is N-[(3-aminocyclobutyl)methyl]-2-methoxy-N,5-dimethylaniline.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-2-methoxy-N,5-dimethylaniline?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-2-methoxy-N,5-dimethylaniline is COc1ccc(C)cc1N(C)CC1CC(N)C1.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-2-methoxy-N,5-dimethylaniline?
The InChIKey is NRCILIKWDDVCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-4-5-14(17-3)13(6-10)16(2)9-11-7-12(15)8-11/h4-6,11-12H,7-9,15H2,1-3H3.
What are the key properties of N-[(3-aminocyclobutyl)methyl]-2-methoxy-N,5-dimethylaniline?
N-[(3-aminocyclobutyl)methyl]-2-methoxy-N,5-dimethylaniline has a molecular weight of 234.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]-2-methoxy-N,5-dimethylaniline is sourced from PubChem (CID 115213903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).