N-[[4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylphenyl]methyl]-2-methylpropan-2-amine

C18H30N2O — CID 64597182

IUPACN-[[4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylphenyl]methyl]-2-methylpropan-2-amine
SMILESCOCC1CCN(c2ccc(CNC(C)(C)C)cc2C)C1
InChIInChI=1S/C18H30N2O/c1-14-10-15(11-19-18(2,3)4)6-7-17(14)20-9-8-16(12-20)13-21-5/h6-7,10,16,19H,8-9,11-13H2,1-5H3
InChIKeyDWLLJLHFYKRDFE-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.36
Rot. Bonds5

About N-[[4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylphenyl]methyl]-2-methylpropan-2-amine

N-[[4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylphenyl]methyl]-2-methylpropan-2-amine (PubChem CID 64597182) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylphenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylphenyl]methyl]-2-methylpropan-2-amine
PubChem CID64597182
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylphenyl]methyl]-2-methylpropan-2-amine
SMILESCOCC1CCN(c2ccc(CNC(C)(C)C)cc2C)C1
InChIInChI=1S/C18H30N2O/c1-14-10-15(11-19-18(2,3)4)6-7-17(14)20-9-8-16(12-20)13-21-5/h6-7,10,16,19H,8-9,11-13H2,1-5H3
InChIKeyDWLLJLHFYKRDFE-UHFFFAOYSA-N
XLogP3.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(bromomethyl)-2-methylphenyl]-3-(methoxymethyl)pyrrolidine
CID 107084059
2-methyl-N-[(3-methyl-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 62120126
1-[4-(chloromethyl)-2-methylphenyl]-4-(methoxymethyl)piperidine
CID 63972516
[4-[3-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]methanamine
CID 106587897
2-methyl-N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 62120829
2-[1-[4-[(tert-butylamino)methyl]-2-chlorophenyl]pyrrolidin-3-yl]ethanol
CID 114798673
N-[[4-(2-ethylmorpholin-4-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 62121366
N-[[3-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]ethanamine
CID 64598197
[4-[4-[(tert-butylamino)methyl]-2-methylphenyl]morpholin-2-yl]methanol
CID 81194556
1-[4-[4-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]propan-2-amine
CID 63980311
N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62511596
1-[4-[(tert-butylamino)methyl]-2-chlorophenyl]pyrrolidin-3-ol
CID 81148819

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylphenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylphenyl]methyl]-2-methylpropan-2-amine (CID 64597182) is N-[[4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylphenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylphenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylphenyl]methyl]-2-methylpropan-2-amine is COCC1CCN(c2ccc(CNC(C)(C)C)cc2C)C1.
What is the InChIKey of N-[[4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylphenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is DWLLJLHFYKRDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14-10-15(11-19-18(2,3)4)6-7-17(14)20-9-8-16(12-20)13-21-5/h6-7,10,16,19H,8-9,11-13H2,1-5H3.
What are the key properties of N-[[4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylphenyl]methyl]-2-methylpropan-2-amine?
N-[[4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylphenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylphenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 64597182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).