4-chloro-2-(oxan-2-ylmethoxy)aniline

C12H16ClNO2 — CID 62306028

IUPAC4-chloro-2-(oxan-2-ylmethoxy)aniline
SMILESNc1ccc(Cl)cc1OCC1CCCCO1
InChIInChI=1S/C12H16ClNO2/c13-9-4-5-11(14)12(7-9)16-8-10-3-1-2-6-15-10/h4-5,7,10H,1-3,6,8,14H2
InChIKeyDTXOPUPLKJAIKC-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.87
Rot. Bonds3

About 4-chloro-2-(oxan-2-ylmethoxy)aniline

4-chloro-2-(oxan-2-ylmethoxy)aniline (PubChem CID 62306028) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-2-(oxan-2-ylmethoxy)aniline.

Molecular Properties

Compound Name4-chloro-2-(oxan-2-ylmethoxy)aniline
PubChem CID62306028
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name4-chloro-2-(oxan-2-ylmethoxy)aniline
SMILESNc1ccc(Cl)cc1OCC1CCCCO1
InChIInChI=1S/C12H16ClNO2/c13-9-4-5-11(14)12(7-9)16-8-10-3-1-2-6-15-10/h4-5,7,10H,1-3,6,8,14H2
InChIKeyDTXOPUPLKJAIKC-UHFFFAOYSA-N
XLogP2.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-(oxolan-2-ylmethoxy)benzonitrile
CID 104712496
4-bromo-5-fluoro-2-(oxan-2-ylmethoxy)aniline
CID 116736435
5-fluoro-2-[[(2R)-oxan-2-yl]methoxy]aniline
CID 26189643
4-ethoxy-5-fluoro-2-(oxan-2-ylmethoxy)aniline
CID 55216471
1-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60907979
3-chloro-2-[[(2S)-oxan-2-yl]methoxy]aniline
CID 26189169
3-amino-N-[5-chloro-2-[[(2R)-oxan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide
CID 99823794
4-bromo-5-fluoro-2-(oxolan-2-ylmethoxy)aniline
CID 116736428
5-bromo-4-fluoro-2-(oxolan-2-ylmethoxy)aniline
CID 66111356
4-methoxy-3-(oxan-2-ylmethoxy)aniline
CID 43591699
3-methyl-5-(oxan-2-ylmethoxy)isoquinolin-8-amine
CID 102713794
6-(oxan-2-ylmethoxy)pyridine-2,3-diamine
CID 79827597

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(oxan-2-ylmethoxy)aniline?
The IUPAC name of 4-chloro-2-(oxan-2-ylmethoxy)aniline (CID 62306028) is 4-chloro-2-(oxan-2-ylmethoxy)aniline.
What is the SMILES notation for 4-chloro-2-(oxan-2-ylmethoxy)aniline?
The canonical SMILES for 4-chloro-2-(oxan-2-ylmethoxy)aniline is Nc1ccc(Cl)cc1OCC1CCCCO1.
What is the InChIKey of 4-chloro-2-(oxan-2-ylmethoxy)aniline?
The InChIKey is DTXOPUPLKJAIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c13-9-4-5-11(14)12(7-9)16-8-10-3-1-2-6-15-10/h4-5,7,10H,1-3,6,8,14H2.
What are the key properties of 4-chloro-2-(oxan-2-ylmethoxy)aniline?
4-chloro-2-(oxan-2-ylmethoxy)aniline has a molecular weight of 241.72 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(oxan-2-ylmethoxy)aniline is sourced from PubChem (CID 62306028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).