N-methyl-1-[[2-(2-methylpyrrolidin-2-yl)phenyl]methoxy]methanamine;molecular hydrogen

C14H24N2O — CID 166157744

IUPACN-methyl-1-[[2-(2-methylpyrrolidin-2-yl)phenyl]methoxy]methanamine;molecular hydrogen
SMILESCNCOCc1ccccc1C1(C)CCCN1.[H][H]
InChIInChI=1S/C14H22N2O.H2/c1-14(8-5-9-16-14)13-7-4-3-6-12(13)10-17-11-15-2;/h3-4,6-7,15-16H,5,8-11H2,1-2H3;1H
InChIKeyWUXPJYMZLVRREP-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.22
Rot. Bonds5

About N-methyl-1-[[2-(2-methylpyrrolidin-2-yl)phenyl]methoxy]methanamine;molecular hydrogen

N-methyl-1-[[2-(2-methylpyrrolidin-2-yl)phenyl]methoxy]methanamine;molecular hydrogen (PubChem CID 166157744) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-methyl-1-[[2-(2-methylpyrrolidin-2-yl)phenyl]methoxy]methanamine;molecular hydrogen.

Molecular Properties

Compound NameN-methyl-1-[[2-(2-methylpyrrolidin-2-yl)phenyl]methoxy]methanamine;molecular hydrogen
PubChem CID166157744
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-methyl-1-[[2-(2-methylpyrrolidin-2-yl)phenyl]methoxy]methanamine;molecular hydrogen
SMILESCNCOCc1ccccc1C1(C)CCCN1.[H][H]
InChIInChI=1S/C14H22N2O.H2/c1-14(8-5-9-16-14)13-7-4-3-6-12(13)10-17-11-15-2;/h3-4,6-7,15-16H,5,8-11H2,1-2H3;1H
InChIKeyWUXPJYMZLVRREP-UHFFFAOYSA-N
XLogP2.22
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[[2-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine
CID 117400051
2-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine
CID 117320154
2-(2-bromophenyl)-2-methylpyrrolidine
CID 82621906
2-(2-bromo-3-methylphenyl)-2-methylpyrrolidine
CID 117388194
1-[2-methoxy-3-(2-methylpyrrolidin-2-yl)phenyl]-N,N-dimethylmethanamine
CID 115004398
2-[5-chloro-2-(methoxymethyl)phenyl]-2-methylpyrrolidine
CID 117352130
1-[2-[(2R)-2-methylpyrrolidin-2-yl]phenyl]ethanone
CID 124704358
2-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpyrrolidine
CID 117320275
2-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpyrrolidine
CID 117301634
2-(2,3-dihydro-1H-inden-4-yl)-2-methylpyrrolidine
CID 117290346
2-(2-chloro-3-methylphenyl)-2-methylpyrrolidine
CID 117299724
2-methyl-2-phenylpiperidine;hydrochloride
CID 115027708

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[2-(2-methylpyrrolidin-2-yl)phenyl]methoxy]methanamine;molecular hydrogen?
The IUPAC name of N-methyl-1-[[2-(2-methylpyrrolidin-2-yl)phenyl]methoxy]methanamine;molecular hydrogen (CID 166157744) is N-methyl-1-[[2-(2-methylpyrrolidin-2-yl)phenyl]methoxy]methanamine;molecular hydrogen.
What is the SMILES notation for N-methyl-1-[[2-(2-methylpyrrolidin-2-yl)phenyl]methoxy]methanamine;molecular hydrogen?
The canonical SMILES for N-methyl-1-[[2-(2-methylpyrrolidin-2-yl)phenyl]methoxy]methanamine;molecular hydrogen is CNCOCc1ccccc1C1(C)CCCN1.[H][H].
What is the InChIKey of N-methyl-1-[[2-(2-methylpyrrolidin-2-yl)phenyl]methoxy]methanamine;molecular hydrogen?
The InChIKey is WUXPJYMZLVRREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.H2/c1-14(8-5-9-16-14)13-7-4-3-6-12(13)10-17-11-15-2;/h3-4,6-7,15-16H,5,8-11H2,1-2H3;1H.
What are the key properties of N-methyl-1-[[2-(2-methylpyrrolidin-2-yl)phenyl]methoxy]methanamine;molecular hydrogen?
N-methyl-1-[[2-(2-methylpyrrolidin-2-yl)phenyl]methoxy]methanamine;molecular hydrogen has a molecular weight of 236.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[2-(2-methylpyrrolidin-2-yl)phenyl]methoxy]methanamine;molecular hydrogen is sourced from PubChem (CID 166157744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).