N-(3-methoxy-2-methylpropyl)-2-pyrrolidin-1-ylaniline

C15H24N2O — CID 116500925

IUPACN-(3-methoxy-2-methylpropyl)-2-pyrrolidin-1-ylaniline
SMILESCOCC(C)CNc1ccccc1N1CCCC1
InChIInChI=1S/C15H24N2O/c1-13(12-18-2)11-16-14-7-3-4-8-15(14)17-9-5-6-10-17/h3-4,7-8,13,16H,5-6,9-12H2,1-2H3
InChIKeyWKFSNNMUGVZBAW-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.98
Rot. Bonds6

About N-(3-methoxy-2-methylpropyl)-2-pyrrolidin-1-ylaniline

N-(3-methoxy-2-methylpropyl)-2-pyrrolidin-1-ylaniline (PubChem CID 116500925) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(3-methoxy-2-methylpropyl)-2-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-(3-methoxy-2-methylpropyl)-2-pyrrolidin-1-ylaniline
PubChem CID116500925
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(3-methoxy-2-methylpropyl)-2-pyrrolidin-1-ylaniline
SMILESCOCC(C)CNc1ccccc1N1CCCC1
InChIInChI=1S/C15H24N2O/c1-13(12-18-2)11-16-14-7-3-4-8-15(14)17-9-5-6-10-17/h3-4,7-8,13,16H,5-6,9-12H2,1-2H3
InChIKeyWKFSNNMUGVZBAW-UHFFFAOYSA-N
XLogP2.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methoxypropan-2-yl)-2-piperidin-1-ylaniline
CID 62534686
2-propan-2-yl-N'-(2-pyrrolidin-1-ylphenyl)propane-1,3-diamine
CID 107441483
N-(cyclohexylmethyl)-2-pyrrolidin-1-ylaniline
CID 43229105
N-(2-phenoxyethyl)-2-piperidin-1-ylaniline
CID 78820561
N-(2-methylpentan-3-yl)-2-pyrrolidin-1-ylaniline
CID 43781177
N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylaniline
CID 68835193
2-methoxy-N-(2-piperidin-1-ylphenyl)propanamide
CID 47300267
N-methyl-2-pyrrolidin-1-ylaniline;hydrochloride
CID 174970195
2-(2-methoxyethylamino)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 78913422
2-[(2-pyrrolidin-1-ylanilino)methyl]phenol
CID 43684216
2-methyl-3-(methylamino)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 79195677
N-butyl-2-piperidin-1-ylaniline;toluene
CID 174677024

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2-methylpropyl)-2-pyrrolidin-1-ylaniline?
The IUPAC name of N-(3-methoxy-2-methylpropyl)-2-pyrrolidin-1-ylaniline (CID 116500925) is N-(3-methoxy-2-methylpropyl)-2-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-(3-methoxy-2-methylpropyl)-2-pyrrolidin-1-ylaniline?
The canonical SMILES for N-(3-methoxy-2-methylpropyl)-2-pyrrolidin-1-ylaniline is COCC(C)CNc1ccccc1N1CCCC1.
What is the InChIKey of N-(3-methoxy-2-methylpropyl)-2-pyrrolidin-1-ylaniline?
The InChIKey is WKFSNNMUGVZBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13(12-18-2)11-16-14-7-3-4-8-15(14)17-9-5-6-10-17/h3-4,7-8,13,16H,5-6,9-12H2,1-2H3.
What are the key properties of N-(3-methoxy-2-methylpropyl)-2-pyrrolidin-1-ylaniline?
N-(3-methoxy-2-methylpropyl)-2-pyrrolidin-1-ylaniline has a molecular weight of 248.37 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2-methylpropyl)-2-pyrrolidin-1-ylaniline is sourced from PubChem (CID 116500925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).