5-chloro-2-methoxy-N-[2-(2-methylpropoxy)ethyl]aniline

C13H20ClNO2 — CID 106451352

IUPAC5-chloro-2-methoxy-N-[2-(2-methylpropoxy)ethyl]aniline
SMILESCOc1ccc(Cl)cc1NCCOCC(C)C
InChIInChI=1S/C13H20ClNO2/c1-10(2)9-17-7-6-15-12-8-11(14)4-5-13(12)16-3/h4-5,8,10,15H,6-7,9H2,1-3H3
InChIKeyGKYYDIOOBJFYHW-UHFFFAOYSA-N
MW257.76 g/mol
LogP3.43
Rot. Bonds7

About 5-chloro-2-methoxy-N-[2-(2-methylpropoxy)ethyl]aniline

5-chloro-2-methoxy-N-[2-(2-methylpropoxy)ethyl]aniline (PubChem CID 106451352) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-(2-methylpropoxy)ethyl]aniline.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-(2-methylpropoxy)ethyl]aniline
PubChem CID106451352
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name5-chloro-2-methoxy-N-[2-(2-methylpropoxy)ethyl]aniline
SMILESCOc1ccc(Cl)cc1NCCOCC(C)C
InChIInChI=1S/C13H20ClNO2/c1-10(2)9-17-7-6-15-12-8-11(14)4-5-13(12)16-3/h4-5,8,10,15H,6-7,9H2,1-3H3
InChIKeyGKYYDIOOBJFYHW-UHFFFAOYSA-N
XLogP3.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.43
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

2,5-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451146
5-chloro-N-(2-fluoroethyl)-2-methoxyaniline
CID 80700235
1-(5-chloro-2-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989141
1-(5-chloro-2-methoxyanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60897921
5-chloro-N-(3-fluoropropyl)-2-methoxyaniline
CID 81106313
3,4,5-trimethoxy-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451208
5-(5-chloro-2-methoxyanilino)pentanenitrile
CID 60678778
1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine
CID 22457316
5-chloro-N-(2-ethylbutyl)-2-methoxyaniline
CID 29289314
5-bromo-2-fluoro-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451652
4-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451573
1-(5-chloro-2-methoxyanilino)-3-hexoxypropan-2-ol
CID 60897922

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-(2-methylpropoxy)ethyl]aniline?
The IUPAC name of 5-chloro-2-methoxy-N-[2-(2-methylpropoxy)ethyl]aniline (CID 106451352) is 5-chloro-2-methoxy-N-[2-(2-methylpropoxy)ethyl]aniline.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-(2-methylpropoxy)ethyl]aniline?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-(2-methylpropoxy)ethyl]aniline is COc1ccc(Cl)cc1NCCOCC(C)C.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-(2-methylpropoxy)ethyl]aniline?
The InChIKey is GKYYDIOOBJFYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-10(2)9-17-7-6-15-12-8-11(14)4-5-13(12)16-3/h4-5,8,10,15H,6-7,9H2,1-3H3.
What are the key properties of 5-chloro-2-methoxy-N-[2-(2-methylpropoxy)ethyl]aniline?
5-chloro-2-methoxy-N-[2-(2-methylpropoxy)ethyl]aniline has a molecular weight of 257.76 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-(2-methylpropoxy)ethyl]aniline is sourced from PubChem (CID 106451352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).