N-methyl-3-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]aniline

C15H22N2O — CID 116871192

IUPACN-methyl-3-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]aniline
SMILESCNc1cccc(C2(C3CCN(C)C3)COC2)c1
InChIInChI=1S/C15H22N2O/c1-16-14-5-3-4-12(8-14)15(10-18-11-15)13-6-7-17(2)9-13/h3-5,8,13,16H,6-7,9-11H2,1-2H3
InChIKeyRKHMLXYAQRNFDS-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.95
Rot. Bonds3

About N-methyl-3-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]aniline

N-methyl-3-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]aniline (PubChem CID 116871192) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-methyl-3-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]aniline.

Molecular Properties

Compound NameN-methyl-3-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]aniline
PubChem CID116871192
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-methyl-3-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]aniline
SMILESCNc1cccc(C2(C3CCN(C)C3)COC2)c1
InChIInChI=1S/C15H22N2O/c1-16-14-5-3-4-12(8-14)15(10-18-11-15)13-6-7-17(2)9-13/h3-5,8,13,16H,6-7,9-11H2,1-2H3
InChIKeyRKHMLXYAQRNFDS-UHFFFAOYSA-N
XLogP1.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-3-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]aniline 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

N-methyl-3-[(1-methylpiperidin-3-yl)methyl]aniline
CID 116925958
N-methyl-3-[methylamino-(1-methylpyrrolidin-3-yl)methyl]aniline
CID 116951993
3-[4-(3-chloro-4-methylphenyl)oxan-4-yl]-1-methylpyrrolidine
CID 118327434
N-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]aniline
CID 166814764
3-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-N-methylaniline
CID 116871185
3-[(5aR,8aS)-2-methyl-1,3,4,5,6,7,8,8a-octahydrocyclopenta[c]azepin-5a-yl]phenol;hydrochloride
CID 86736364
N-methyl-3-(oxan-4-ylmethyl)aniline
CID 116925951
(4aS,8aS)-4a-(3-methoxyphenyl)-2-methyl-1,3,4,5,6,7,8,8a-octahydroisoquinoline
CID 13107984
(4aR,7aR)-2-methyl-4a-phenyl-3,4,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridine
CID 12884448
N-methyl-3-[1-(trifluoromethyl)cyclopropyl]aniline
CID 172602253
N-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]aniline
CID 71219351
2-methyl-5a-(3-propan-2-yloxyphenyl)-3,4,5,6,7,8,9,9a-octahydro-1H-benzo[c]azepine
CID 21330681

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]aniline?
The IUPAC name of N-methyl-3-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]aniline (CID 116871192) is N-methyl-3-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]aniline.
What is the SMILES notation for N-methyl-3-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]aniline?
The canonical SMILES for N-methyl-3-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]aniline is CNc1cccc(C2(C3CCN(C)C3)COC2)c1.
What is the InChIKey of N-methyl-3-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]aniline?
The InChIKey is RKHMLXYAQRNFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-16-14-5-3-4-12(8-14)15(10-18-11-15)13-6-7-17(2)9-13/h3-5,8,13,16H,6-7,9-11H2,1-2H3.
What are the key properties of N-methyl-3-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]aniline?
N-methyl-3-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]aniline has a molecular weight of 246.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]aniline is sourced from PubChem (CID 116871192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).