2-[6-(3-amino-2-methylphenoxy)hexoxy]-6-methylaniline

C20H28N2O2 — CID 146356235

IUPAC2-[6-(3-amino-2-methylphenoxy)hexoxy]-6-methylaniline
SMILESCc1cccc(OCCCCCCOc2cccc(N)c2C)c1N
InChIInChI=1S/C20H28N2O2/c1-15-9-7-12-19(20(15)22)24-14-6-4-3-5-13-23-18-11-8-10-17(21)16(18)2/h7-12H,3-6,13-14,21-22H2,1-2H3
InChIKeyJQCUUHADDBUZEQ-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.49
Rot. Bonds9

About 2-[6-(3-amino-2-methylphenoxy)hexoxy]-6-methylaniline

2-[6-(3-amino-2-methylphenoxy)hexoxy]-6-methylaniline (PubChem CID 146356235) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-[6-(3-amino-2-methylphenoxy)hexoxy]-6-methylaniline.

Molecular Properties

Compound Name2-[6-(3-amino-2-methylphenoxy)hexoxy]-6-methylaniline
PubChem CID146356235
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name2-[6-(3-amino-2-methylphenoxy)hexoxy]-6-methylaniline
SMILESCc1cccc(OCCCCCCOc2cccc(N)c2C)c1N
InChIInChI=1S/C20H28N2O2/c1-15-9-7-12-19(20(15)22)24-14-6-4-3-5-13-23-18-11-8-10-17(21)16(18)2/h7-12H,3-6,13-14,21-22H2,1-2H3
InChIKeyJQCUUHADDBUZEQ-UHFFFAOYSA-N
XLogP4.49
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.49
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

3-[7-(2-aminophenoxy)heptoxy]-2-methylaniline
CID 146356261
2-[2-(2-amino-3-methylphenoxy)ethoxy]-6-methylaniline
CID 153401307
2-(2-aminoethoxy)-6-methylaniline
CID 82502971
2-[8-(3-aminophenoxy)octoxy]-6-methylaniline
CID 153401305
3-[4-(2,4-dimethylphenoxy)butoxy]-2-methylaniline
CID 82097265
2-methyl-3-propoxyaniline
CID 23134606
2-methyl-3-[3-(4-methylphenoxy)propoxy]aniline
CID 82097227
4-(2,3-dimethylphenoxy)butyl acetate
CID 69169507
methyl 4-(2-amino-3-methylphenoxy)butanoate
CID 43437986
tert-butyl N-[5-(2-amino-3-methylphenoxy)pentyl]carbamate
CID 164512412
5-(2,3-dimethylphenoxy)-N-methylpentan-1-amine
CID 62455061
3-(3-amino-2-methylphenoxy)-2-methylaniline
CID 18405813

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-amino-2-methylphenoxy)hexoxy]-6-methylaniline?
The IUPAC name of 2-[6-(3-amino-2-methylphenoxy)hexoxy]-6-methylaniline (CID 146356235) is 2-[6-(3-amino-2-methylphenoxy)hexoxy]-6-methylaniline.
What is the SMILES notation for 2-[6-(3-amino-2-methylphenoxy)hexoxy]-6-methylaniline?
The canonical SMILES for 2-[6-(3-amino-2-methylphenoxy)hexoxy]-6-methylaniline is Cc1cccc(OCCCCCCOc2cccc(N)c2C)c1N.
What is the InChIKey of 2-[6-(3-amino-2-methylphenoxy)hexoxy]-6-methylaniline?
The InChIKey is JQCUUHADDBUZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-15-9-7-12-19(20(15)22)24-14-6-4-3-5-13-23-18-11-8-10-17(21)16(18)2/h7-12H,3-6,13-14,21-22H2,1-2H3.
What are the key properties of 2-[6-(3-amino-2-methylphenoxy)hexoxy]-6-methylaniline?
2-[6-(3-amino-2-methylphenoxy)hexoxy]-6-methylaniline has a molecular weight of 328.46 g/mol, XLogP of 4.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-amino-2-methylphenoxy)hexoxy]-6-methylaniline is sourced from PubChem (CID 146356235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).