N-[(3-aminocyclobutyl)methyl]-2,5-dimethoxy-N-methylaniline

C14H22N2O2 — CID 115213906

IUPACN-[(3-aminocyclobutyl)methyl]-2,5-dimethoxy-N-methylaniline
SMILESCOc1ccc(OC)c(N(C)CC2CC(N)C2)c1
InChIInChI=1S/C14H22N2O2/c1-16(9-10-6-11(15)7-10)13-8-12(17-2)4-5-14(13)18-3/h4-5,8,10-11H,6-7,9,15H2,1-3H3
InChIKeyVORPPYPYHSWCMR-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.88
Rot. Bonds5

About N-[(3-aminocyclobutyl)methyl]-2,5-dimethoxy-N-methylaniline

N-[(3-aminocyclobutyl)methyl]-2,5-dimethoxy-N-methylaniline (PubChem CID 115213906) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-2,5-dimethoxy-N-methylaniline.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-2,5-dimethoxy-N-methylaniline
PubChem CID115213906
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[(3-aminocyclobutyl)methyl]-2,5-dimethoxy-N-methylaniline
SMILESCOc1ccc(OC)c(N(C)CC2CC(N)C2)c1
InChIInChI=1S/C14H22N2O2/c1-16(9-10-6-11(15)7-10)13-8-12(17-2)4-5-14(13)18-3/h4-5,8,10-11H,6-7,9,15H2,1-3H3
InChIKeyVORPPYPYHSWCMR-UHFFFAOYSA-N
XLogP1.88
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-aminocyclobutyl)methyl]-2-methoxy-N,5-dimethylaniline
CID 115213903
N-[(3-aminocyclobutyl)methyl]-N,2,4,5-tetramethylaniline
CID 115213957
N-[(3-aminocyclobutyl)methyl]-7-methoxy-N-methylisoquinolin-1-amine
CID 106543443
2-[(3-hydroxycyclobutyl)methyl-methylamino]-4-methoxybenzenecarboximidamide
CID 81302452
methyl 2-(2,5-dimethoxy-N-methylanilino)acetate
CID 115232741
2-[cyclopentylmethyl(methyl)amino]-4-methoxybenzoic acid
CID 81309673
4-(2,5-dimethoxy-N-methylanilino)butan-1-ol
CID 115217449
N'-(2,5-dimethoxyphenyl)-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251309
2-[cyclopentylmethyl(methyl)amino]-4-methoxybenzenecarbothioamide
CID 81306773
N-[(3-aminocyclobutyl)methyl]-N,2,5-trimethylaniline
CID 115213895
5-(2,5-dimethoxy-N-methylanilino)pentan-2-one
CID 115236316
3-(2,5-dimethoxy-N-methylanilino)-2,2-dimethylpropanoic acid
CID 115136466

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-2,5-dimethoxy-N-methylaniline?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-2,5-dimethoxy-N-methylaniline (CID 115213906) is N-[(3-aminocyclobutyl)methyl]-2,5-dimethoxy-N-methylaniline.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-2,5-dimethoxy-N-methylaniline?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-2,5-dimethoxy-N-methylaniline is COc1ccc(OC)c(N(C)CC2CC(N)C2)c1.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-2,5-dimethoxy-N-methylaniline?
The InChIKey is VORPPYPYHSWCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-16(9-10-6-11(15)7-10)13-8-12(17-2)4-5-14(13)18-3/h4-5,8,10-11H,6-7,9,15H2,1-3H3.
What are the key properties of N-[(3-aminocyclobutyl)methyl]-2,5-dimethoxy-N-methylaniline?
N-[(3-aminocyclobutyl)methyl]-2,5-dimethoxy-N-methylaniline has a molecular weight of 250.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]-2,5-dimethoxy-N-methylaniline is sourced from PubChem (CID 115213906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).