2-chloro-5-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline

C13H20ClNO2 — CID 112588961

IUPAC2-chloro-5-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline
SMILESCOc1ccc(Cl)c(NCCOC(C)(C)C)c1
InChIInChI=1S/C13H20ClNO2/c1-13(2,3)17-8-7-15-12-9-10(16-4)5-6-11(12)14/h5-6,9,15H,7-8H2,1-4H3
InChIKeyJUBDJXPDUGLTKQ-UHFFFAOYSA-N
MW257.76 g/mol
LogP3.58
Rot. Bonds5

About 2-chloro-5-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline

2-chloro-5-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline (PubChem CID 112588961) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-chloro-5-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline.

Molecular Properties

Compound Name2-chloro-5-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline
PubChem CID112588961
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name2-chloro-5-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline
SMILESCOc1ccc(Cl)c(NCCOC(C)(C)C)c1
InChIInChI=1S/C13H20ClNO2/c1-13(2,3)17-8-7-15-12-9-10(16-4)5-6-11(12)14/h5-6,9,15H,7-8H2,1-4H3
InChIKeyJUBDJXPDUGLTKQ-UHFFFAOYSA-N
XLogP3.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-ynyl-2-chloro-5-methoxyaniline
CID 63655270
5-(2-chloro-5-methoxyanilino)pentanamide
CID 114281598
2,5-dichloro-N-(2-methoxyethyl)aniline
CID 28568177
1-(2-chloro-5-methoxyanilino)-2-methylbutan-2-ol
CID 114492958
4-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062149
5-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064018
2-chloro-5-methoxy-N-(3-phenylbutyl)aniline
CID 63453629
2-chloro-N-[(2,5-dichlorophenyl)methyl]-5-methoxyaniline
CID 65315824
1-chloro-3-(2-chloro-5-methoxyanilino)propan-2-ol
CID 168636469
2-chloro-4-fluoro-5-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline
CID 112734641
2-chloro-N-[(2,5-dimethylphenyl)methyl]-5-methoxyaniline
CID 55192756
N-[4-methoxy-2-(2-methoxyethylamino)phenyl]hydroxylamine
CID 130391172

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline?
The IUPAC name of 2-chloro-5-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline (CID 112588961) is 2-chloro-5-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline.
What is the SMILES notation for 2-chloro-5-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline?
The canonical SMILES for 2-chloro-5-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline is COc1ccc(Cl)c(NCCOC(C)(C)C)c1.
What is the InChIKey of 2-chloro-5-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline?
The InChIKey is JUBDJXPDUGLTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-13(2,3)17-8-7-15-12-9-10(16-4)5-6-11(12)14/h5-6,9,15H,7-8H2,1-4H3.
What are the key properties of 2-chloro-5-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline?
2-chloro-5-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline has a molecular weight of 257.76 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline is sourced from PubChem (CID 112588961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).