2-methyl-N-(oxolan-2-ylmethyl)-4-pyrrolidin-1-ylaniline

C16H24N2O — CID 82834994

IUPAC2-methyl-N-(oxolan-2-ylmethyl)-4-pyrrolidin-1-ylaniline
SMILESCc1cc(N2CCCC2)ccc1NCC1CCCO1
InChIInChI=1S/C16H24N2O/c1-13-11-14(18-8-2-3-9-18)6-7-16(13)17-12-15-5-4-10-19-15/h6-7,11,15,17H,2-5,8-10,12H2,1H3
InChIKeyARVBQOSUXHEODR-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.19
Rot. Bonds4

About 2-methyl-N-(oxolan-2-ylmethyl)-4-pyrrolidin-1-ylaniline

2-methyl-N-(oxolan-2-ylmethyl)-4-pyrrolidin-1-ylaniline (PubChem CID 82834994) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-methyl-N-(oxolan-2-ylmethyl)-4-pyrrolidin-1-ylaniline.

Molecular Properties

Compound Name2-methyl-N-(oxolan-2-ylmethyl)-4-pyrrolidin-1-ylaniline
PubChem CID82834994
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-methyl-N-(oxolan-2-ylmethyl)-4-pyrrolidin-1-ylaniline
SMILESCc1cc(N2CCCC2)ccc1NCC1CCCO1
InChIInChI=1S/C16H24N2O/c1-13-11-14(18-8-2-3-9-18)6-7-16(13)17-12-15-5-4-10-19-15/h6-7,11,15,17H,2-5,8-10,12H2,1H3
InChIKeyARVBQOSUXHEODR-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylmethyl)-2-methyl-4-pyrrolidin-1-ylaniline
CID 62071393
2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112870136
6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112912539
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline
CID 28585976
2-methyl-N-(oxolan-2-ylmethyl)-4-propan-2-yloxyaniline
CID 82836058
2-nitro-N-[[(2S)-oxolan-2-yl]methyl]-5-piperazin-1-ylaniline
CID 7111564
2-methyl-N-(2-methylbutyl)-4-pyrrolidin-1-ylaniline
CID 43682373
2,5-dimethyl-N-(oxan-2-ylmethyl)aniline
CID 43403445
2,4-dibromo-N-(oxolan-2-ylmethyl)aniline
CID 60680681
4-N-(4-chloro-2-methylphenyl)-2-methyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870102
N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 108994393
2-methyl-4-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60696611

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxolan-2-ylmethyl)-4-pyrrolidin-1-ylaniline?
The IUPAC name of 2-methyl-N-(oxolan-2-ylmethyl)-4-pyrrolidin-1-ylaniline (CID 82834994) is 2-methyl-N-(oxolan-2-ylmethyl)-4-pyrrolidin-1-ylaniline.
What is the SMILES notation for 2-methyl-N-(oxolan-2-ylmethyl)-4-pyrrolidin-1-ylaniline?
The canonical SMILES for 2-methyl-N-(oxolan-2-ylmethyl)-4-pyrrolidin-1-ylaniline is Cc1cc(N2CCCC2)ccc1NCC1CCCO1.
What is the InChIKey of 2-methyl-N-(oxolan-2-ylmethyl)-4-pyrrolidin-1-ylaniline?
The InChIKey is ARVBQOSUXHEODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-11-14(18-8-2-3-9-18)6-7-16(13)17-12-15-5-4-10-19-15/h6-7,11,15,17H,2-5,8-10,12H2,1H3.
What are the key properties of 2-methyl-N-(oxolan-2-ylmethyl)-4-pyrrolidin-1-ylaniline?
2-methyl-N-(oxolan-2-ylmethyl)-4-pyrrolidin-1-ylaniline has a molecular weight of 260.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxolan-2-ylmethyl)-4-pyrrolidin-1-ylaniline is sourced from PubChem (CID 82834994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).