2-methoxy-N-methyl-4-propan-2-yl-N-(pyrrolidin-3-ylmethyl)aniline

C16H26N2O — CID 115208694

IUPAC2-methoxy-N-methyl-4-propan-2-yl-N-(pyrrolidin-3-ylmethyl)aniline
SMILESCOc1cc(C(C)C)ccc1N(C)CC1CCNC1
InChIInChI=1S/C16H26N2O/c1-12(2)14-5-6-15(16(9-14)19-4)18(3)11-13-7-8-17-10-13/h5-6,9,12-13,17H,7-8,10-11H2,1-4H3
InChIKeySTXWCLGSBITKPP-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.86
Rot. Bonds5

About 2-methoxy-N-methyl-4-propan-2-yl-N-(pyrrolidin-3-ylmethyl)aniline

2-methoxy-N-methyl-4-propan-2-yl-N-(pyrrolidin-3-ylmethyl)aniline (PubChem CID 115208694) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-methoxy-N-methyl-4-propan-2-yl-N-(pyrrolidin-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-methoxy-N-methyl-4-propan-2-yl-N-(pyrrolidin-3-ylmethyl)aniline
PubChem CID115208694
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-methoxy-N-methyl-4-propan-2-yl-N-(pyrrolidin-3-ylmethyl)aniline
SMILESCOc1cc(C(C)C)ccc1N(C)CC1CCNC1
InChIInChI=1S/C16H26N2O/c1-12(2)14-5-6-15(16(9-14)19-4)18(3)11-13-7-8-17-10-13/h5-6,9,12-13,17H,7-8,10-11H2,1-4H3
InChIKeySTXWCLGSBITKPP-UHFFFAOYSA-N
XLogP2.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-N-methyl-4-propan-2-ylanilino)acetaldehyde
CID 115222785
(3R)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrrolidine
CID 86321098
4-tert-butyl-N,2-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208714
N'-(2-methoxy-4-propan-2-ylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 98784055
methyl 2-[methyl(pyrrolidin-3-ylmethyl)amino]benzoate
CID 117028824
N-methyl-N-(piperidin-4-ylmethyl)-3-propan-2-ylaniline
CID 119930941
N'-(2-methoxy-4-propan-2-ylphenyl)-N'-methylbutane-1,4-diamine
CID 115201118
1-(4-methoxy-3-methylphenyl)-N,N-dimethyl-2-pyrrolidin-3-ylethanamine
CID 116906723
N-(azetidin-3-ylmethyl)-2,5-dimethoxy-N,4-dimethylaniline
CID 115207406
N,N-dimethyl-4-propan-2-yl-2-pyrrolidin-3-ylaniline
CID 117116687
2-methoxy-N,3,4,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208742
(3S)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]piperidine
CID 28750110

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-4-propan-2-yl-N-(pyrrolidin-3-ylmethyl)aniline?
The IUPAC name of 2-methoxy-N-methyl-4-propan-2-yl-N-(pyrrolidin-3-ylmethyl)aniline (CID 115208694) is 2-methoxy-N-methyl-4-propan-2-yl-N-(pyrrolidin-3-ylmethyl)aniline.
What is the SMILES notation for 2-methoxy-N-methyl-4-propan-2-yl-N-(pyrrolidin-3-ylmethyl)aniline?
The canonical SMILES for 2-methoxy-N-methyl-4-propan-2-yl-N-(pyrrolidin-3-ylmethyl)aniline is COc1cc(C(C)C)ccc1N(C)CC1CCNC1.
What is the InChIKey of 2-methoxy-N-methyl-4-propan-2-yl-N-(pyrrolidin-3-ylmethyl)aniline?
The InChIKey is STXWCLGSBITKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)14-5-6-15(16(9-14)19-4)18(3)11-13-7-8-17-10-13/h5-6,9,12-13,17H,7-8,10-11H2,1-4H3.
What are the key properties of 2-methoxy-N-methyl-4-propan-2-yl-N-(pyrrolidin-3-ylmethyl)aniline?
2-methoxy-N-methyl-4-propan-2-yl-N-(pyrrolidin-3-ylmethyl)aniline has a molecular weight of 262.40 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-4-propan-2-yl-N-(pyrrolidin-3-ylmethyl)aniline is sourced from PubChem (CID 115208694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).