2-methoxy-N,3,4,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline

C16H26N2O — CID 115208742

IUPAC2-methoxy-N,3,4,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline
SMILESCOc1c(C)c(C)cc(C)c1N(C)CC1CCNC1
InChIInChI=1S/C16H26N2O/c1-11-8-12(2)15(16(19-5)13(11)3)18(4)10-14-6-7-17-9-14/h8,14,17H,6-7,9-10H2,1-5H3
InChIKeyVMSDRSACTCBQDX-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.67
Rot. Bonds4

About 2-methoxy-N,3,4,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline

2-methoxy-N,3,4,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline (PubChem CID 115208742) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-methoxy-N,3,4,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-methoxy-N,3,4,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline
PubChem CID115208742
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-methoxy-N,3,4,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline
SMILESCOc1c(C)c(C)cc(C)c1N(C)CC1CCNC1
InChIInChI=1S/C16H26N2O/c1-11-8-12(2)15(16(19-5)13(11)3)18(4)10-14-6-7-17-9-14/h8,14,17H,6-7,9-10H2,1-5H3
InChIKeyVMSDRSACTCBQDX-UHFFFAOYSA-N
XLogP2.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,5-dimethyl-N-(pyrrolidin-3-ylmethyl)-1,3-oxazol-2-amine
CID 112709751
3-[(3-bromo-2-methoxy-5,6-dimethylphenyl)methyl]pyrrolidine
CID 84815949
N-ethyl-2-methoxy-N,3,4,6-tetramethylaniline
CID 115259374
N-(azetidin-3-ylmethyl)-5-bromo-2-methoxy-N,3,4,6-tetramethylaniline
CID 115207465
4-tert-butyl-N,2-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208714
3-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine
CID 84815947
4-[(3-bromo-2-methoxy-4,5-dimethylphenyl)methyl]piperidine
CID 117497390
2-methoxy-N-methyl-4-propan-2-yl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208694
2-(2-methoxy-N,3,4,6-tetramethylanilino)ethanol
CID 115216183
2,3,5,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208554
N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline
CID 115260711
4-methoxy-N,3,5-trimethyl-N-(morpholin-2-ylmethyl)aniline
CID 115237588

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,3,4,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline?
The IUPAC name of 2-methoxy-N,3,4,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline (CID 115208742) is 2-methoxy-N,3,4,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline.
What is the SMILES notation for 2-methoxy-N,3,4,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline?
The canonical SMILES for 2-methoxy-N,3,4,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline is COc1c(C)c(C)cc(C)c1N(C)CC1CCNC1.
What is the InChIKey of 2-methoxy-N,3,4,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline?
The InChIKey is VMSDRSACTCBQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-8-12(2)15(16(19-5)13(11)3)18(4)10-14-6-7-17-9-14/h8,14,17H,6-7,9-10H2,1-5H3.
What are the key properties of 2-methoxy-N,3,4,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline?
2-methoxy-N,3,4,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline has a molecular weight of 262.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,3,4,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline is sourced from PubChem (CID 115208742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).