6-[2-(2-amino-4-methylphenoxy)ethoxy]-3-chloro-2,4-dimethylaniline

C17H21ClN2O2 — CID 42646928

IUPAC6-[2-(2-amino-4-methylphenoxy)ethoxy]-3-chloro-2,4-dimethylaniline
SMILESCc1ccc(OCCOc2cc(C)c(Cl)c(C)c2N)c(N)c1
InChIInChI=1S/C17H21ClN2O2/c1-10-4-5-14(13(19)8-10)21-6-7-22-15-9-11(2)16(18)12(3)17(15)20/h4-5,8-9H,6-7,19-20H2,1-3H3
InChIKeyZKVYKBYBDCMBRV-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.89
Rot. Bonds5

About 6-[2-(2-amino-4-methylphenoxy)ethoxy]-3-chloro-2,4-dimethylaniline

6-[2-(2-amino-4-methylphenoxy)ethoxy]-3-chloro-2,4-dimethylaniline (PubChem CID 42646928) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 6-[2-(2-amino-4-methylphenoxy)ethoxy]-3-chloro-2,4-dimethylaniline.

Molecular Properties

Compound Name6-[2-(2-amino-4-methylphenoxy)ethoxy]-3-chloro-2,4-dimethylaniline
PubChem CID42646928
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name6-[2-(2-amino-4-methylphenoxy)ethoxy]-3-chloro-2,4-dimethylaniline
SMILESCc1ccc(OCCOc2cc(C)c(Cl)c(C)c2N)c(N)c1
InChIInChI=1S/C17H21ClN2O2/c1-10-4-5-14(13(19)8-10)21-6-7-22-15-9-11(2)16(18)12(3)17(15)20/h4-5,8-9H,6-7,19-20H2,1-3H3
InChIKeyZKVYKBYBDCMBRV-UHFFFAOYSA-N
XLogP3.89
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39438979
2-[2-(2-amino-4-methylphenoxy)ethoxy]-5-chloro-4-methylaniline
CID 42643574
3-chloro-2,4-dimethyl-6-propoxyaniline
CID 82053375
5-methyl-2-[2-(2,4,5-trimethylphenoxy)ethoxy]aniline
CID 39387000
2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline
CID 39399728
2-[2-(2,5-dichlorophenoxy)ethoxy]-5-methylaniline
CID 39452114
2-[2-(2,3-dichlorophenoxy)ethoxy]-5-methylaniline
CID 39452116
3-chloro-6-ethoxy-2,4-dimethylaniline
CID 82053344
2-[2-(2,3-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39371046
2-[2-(3,5-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39371047
3-(2-amino-4-methylphenoxy)propan-1-ol
CID 43349600
5-chloro-2-[2-(2,3,6-trimethylphenoxy)ethoxy]aniline
CID 39438999

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-amino-4-methylphenoxy)ethoxy]-3-chloro-2,4-dimethylaniline?
The IUPAC name of 6-[2-(2-amino-4-methylphenoxy)ethoxy]-3-chloro-2,4-dimethylaniline (CID 42646928) is 6-[2-(2-amino-4-methylphenoxy)ethoxy]-3-chloro-2,4-dimethylaniline.
What is the SMILES notation for 6-[2-(2-amino-4-methylphenoxy)ethoxy]-3-chloro-2,4-dimethylaniline?
The canonical SMILES for 6-[2-(2-amino-4-methylphenoxy)ethoxy]-3-chloro-2,4-dimethylaniline is Cc1ccc(OCCOc2cc(C)c(Cl)c(C)c2N)c(N)c1.
What is the InChIKey of 6-[2-(2-amino-4-methylphenoxy)ethoxy]-3-chloro-2,4-dimethylaniline?
The InChIKey is ZKVYKBYBDCMBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c1-10-4-5-14(13(19)8-10)21-6-7-22-15-9-11(2)16(18)12(3)17(15)20/h4-5,8-9H,6-7,19-20H2,1-3H3.
What are the key properties of 6-[2-(2-amino-4-methylphenoxy)ethoxy]-3-chloro-2,4-dimethylaniline?
6-[2-(2-amino-4-methylphenoxy)ethoxy]-3-chloro-2,4-dimethylaniline has a molecular weight of 320.82 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-amino-4-methylphenoxy)ethoxy]-3-chloro-2,4-dimethylaniline is sourced from PubChem (CID 42646928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).