2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline

C13H20N2O — CID 83950521

IUPAC2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
SMILESCOc1ccccc1NCC1CCCN1C
InChIInChI=1S/C13H20N2O/c1-15-9-5-6-11(15)10-14-12-7-3-4-8-13(12)16-2/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3
InChIKeySSGHDPAWBRGZCX-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.20
Rot. Bonds4

About 2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline

2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline (PubChem CID 83950521) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
PubChem CID83950521
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
SMILESCOc1ccccc1NCC1CCCN1C
InChIInChI=1S/C13H20N2O/c1-15-9-5-6-11(15)10-14-12-7-3-4-8-13(12)16-2/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3
InChIKeySSGHDPAWBRGZCX-UHFFFAOYSA-N
XLogP2.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83950941
2-methoxy-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62659446
2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 47416436
3-chloro-4-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83960396
3-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid
CID 106022139
2,5-difluoro-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83953736
2-[2-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine
CID 10499737
5-methoxy-N-[(1-methylpiperidin-2-yl)methyl]isoquinolin-1-amine
CID 106538194
N-(2-methoxyphenyl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide
CID 115316424
2-(difluoromethylsulfanyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 55100178
2-chloro-6-[(1-methylpyrrolidin-2-yl)methylamino]benzonitrile
CID 106024724
2,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83962534

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The IUPAC name of 2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline (CID 83950521) is 2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline.
What is the SMILES notation for 2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The canonical SMILES for 2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline is COc1ccccc1NCC1CCCN1C.
What is the InChIKey of 2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The InChIKey is SSGHDPAWBRGZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15-9-5-6-11(15)10-14-12-7-3-4-8-13(12)16-2/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3.
What are the key properties of 2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline has a molecular weight of 220.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline is sourced from PubChem (CID 83950521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).