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

C12H16ClNO2 — CID 62384730

IUPAC2-chloro-4-(oxan-4-ylmethoxy)aniline
SMILESNc1ccc(OCC2CCOCC2)cc1Cl
InChIInChI=1S/C12H16ClNO2/c13-11-7-10(1-2-12(11)14)16-8-9-3-5-15-6-4-9/h1-2,7,9H,3-6,8,14H2
InChIKeyWANGNWHUZYUOSN-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.73
Rot. Bonds3

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

2-chloro-4-(oxan-4-ylmethoxy)aniline (PubChem CID 62384730) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-chloro-4-(oxan-4-ylmethoxy)aniline.

Molecular Properties

Compound Name2-chloro-4-(oxan-4-ylmethoxy)aniline
PubChem CID62384730
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-chloro-4-(oxan-4-ylmethoxy)aniline
SMILESNc1ccc(OCC2CCOCC2)cc1Cl
InChIInChI=1S/C12H16ClNO2/c13-11-7-10(1-2-12(11)14)16-8-9-3-5-15-6-4-9/h1-2,7,9H,3-6,8,14H2
InChIKeyWANGNWHUZYUOSN-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
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

2-ethoxy-4-(oxan-4-ylmethoxy)aniline
CID 63678220
4-(oxan-4-ylmethoxy)-2-propan-2-yloxyaniline
CID 83002627
1-[2-amino-5-(oxan-4-ylmethoxy)phenyl]ethanone
CID 104613309
2-chloro-5-(oxan-4-ylmethoxy)benzoic acid
CID 106500528
4-chloro-3-methyl-2-(oxan-4-ylmethoxy)aniline
CID 112740954
2-methyl-4-(oxolan-3-ylmethoxy)aniline
CID 61313415
[4-(oxan-4-ylmethoxy)-2-pyridinyl]methanamine
CID 62386915
2-(cyclopropylmethoxy)-4-(oxan-4-yloxy)aniline
CID 155920771
2-chloro-4-(cyclopropylmethoxy)-1-fluorobenzene
CID 130693986
2-bromo-4-(cyclopropylmethoxy)aniline
CID 97179592
2-amino-2-(3,4-dichlorophenyl)-1-[4-(oxan-4-ylmethoxy)phenyl]ethanol
CID 75228946
3-amino-5-(oxan-4-ylmethoxy)phenol
CID 89063810

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(oxan-4-ylmethoxy)aniline?
The IUPAC name of 2-chloro-4-(oxan-4-ylmethoxy)aniline (CID 62384730) is 2-chloro-4-(oxan-4-ylmethoxy)aniline.
What is the SMILES notation for 2-chloro-4-(oxan-4-ylmethoxy)aniline?
The canonical SMILES for 2-chloro-4-(oxan-4-ylmethoxy)aniline is Nc1ccc(OCC2CCOCC2)cc1Cl.
What is the InChIKey of 2-chloro-4-(oxan-4-ylmethoxy)aniline?
The InChIKey is WANGNWHUZYUOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c13-11-7-10(1-2-12(11)14)16-8-9-3-5-15-6-4-9/h1-2,7,9H,3-6,8,14H2.
What are the key properties of 2-chloro-4-(oxan-4-ylmethoxy)aniline?
2-chloro-4-(oxan-4-ylmethoxy)aniline has a molecular weight of 241.72 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(oxan-4-ylmethoxy)aniline is sourced from PubChem (CID 62384730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).