N-methyl-4-(oxolan-2-ylmethoxy)aniline

C12H17NO2 — CID 54803460

IUPACN-methyl-4-(oxolan-2-ylmethoxy)aniline
SMILESCNc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C12H17NO2/c1-13-10-4-6-11(7-5-10)15-9-12-3-2-8-14-12/h4-7,12-13H,2-3,8-9H2,1H3
InChIKeyXGJAWXUSKUGZFA-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.29
Rot. Bonds4

About N-methyl-4-(oxolan-2-ylmethoxy)aniline

N-methyl-4-(oxolan-2-ylmethoxy)aniline (PubChem CID 54803460) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-methyl-4-(oxolan-2-ylmethoxy)aniline.

Molecular Properties

Compound NameN-methyl-4-(oxolan-2-ylmethoxy)aniline
PubChem CID54803460
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-methyl-4-(oxolan-2-ylmethoxy)aniline
SMILESCNc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C12H17NO2/c1-13-10-4-6-11(7-5-10)15-9-12-3-2-8-14-12/h4-7,12-13H,2-3,8-9H2,1H3
InChIKeyXGJAWXUSKUGZFA-UHFFFAOYSA-N
XLogP2.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-4-(oxolan-2-ylmethoxy)aniline
CID 54799656
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
2-[(4-iodophenoxy)methyl]oxolane
CID 60644314
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 119712739
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43214097
N-[4-(oxolan-2-ylmethoxy)phenyl]cyclobutanecarboxamide
CID 47251152
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
4-(oxolan-2-ylmethoxy)-N-[2-(4-propan-2-ylphenoxy)ethyl]aniline
CID 54799699
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 54798939
(1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 63364123
2-ethoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 131944561

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(oxolan-2-ylmethoxy)aniline?
The IUPAC name of N-methyl-4-(oxolan-2-ylmethoxy)aniline (CID 54803460) is N-methyl-4-(oxolan-2-ylmethoxy)aniline.
What is the SMILES notation for N-methyl-4-(oxolan-2-ylmethoxy)aniline?
The canonical SMILES for N-methyl-4-(oxolan-2-ylmethoxy)aniline is CNc1ccc(OCC2CCCO2)cc1.
What is the InChIKey of N-methyl-4-(oxolan-2-ylmethoxy)aniline?
The InChIKey is XGJAWXUSKUGZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-13-10-4-6-11(7-5-10)15-9-12-3-2-8-14-12/h4-7,12-13H,2-3,8-9H2,1H3.
What are the key properties of N-methyl-4-(oxolan-2-ylmethoxy)aniline?
N-methyl-4-(oxolan-2-ylmethoxy)aniline has a molecular weight of 207.27 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(oxolan-2-ylmethoxy)aniline is sourced from PubChem (CID 54803460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).