2-[2-amino-3-(1-methoxyethoxy)phenyl]-6-(1-methoxyethoxy)aniline

C18H24N2O4 — CID 67894523

IUPAC2-[2-amino-3-(1-methoxyethoxy)phenyl]-6-(1-methoxyethoxy)aniline
SMILESCOC(C)Oc1cccc(-c2cccc(OC(C)OC)c2N)c1N
InChIInChI=1S/C18H24N2O4/c1-11(21-3)23-15-9-5-7-13(17(15)19)14-8-6-10-16(18(14)20)24-12(2)22-4/h5-12H,19-20H2,1-4H3
InChIKeyQVDKUGNTFGWXTQ-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.26
Rot. Bonds7

About 2-[2-amino-3-(1-methoxyethoxy)phenyl]-6-(1-methoxyethoxy)aniline

2-[2-amino-3-(1-methoxyethoxy)phenyl]-6-(1-methoxyethoxy)aniline (PubChem CID 67894523) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[2-amino-3-(1-methoxyethoxy)phenyl]-6-(1-methoxyethoxy)aniline.

Molecular Properties

Compound Name2-[2-amino-3-(1-methoxyethoxy)phenyl]-6-(1-methoxyethoxy)aniline
PubChem CID67894523
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-[2-amino-3-(1-methoxyethoxy)phenyl]-6-(1-methoxyethoxy)aniline
SMILESCOC(C)Oc1cccc(-c2cccc(OC(C)OC)c2N)c1N
InChIInChI=1S/C18H24N2O4/c1-11(21-3)23-15-9-5-7-13(17(15)19)14-8-6-10-16(18(14)20)24-12(2)22-4/h5-12H,19-20H2,1-4H3
InChIKeyQVDKUGNTFGWXTQ-UHFFFAOYSA-N
XLogP3.26
TPSA88.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[2-(1-methoxyethoxy)phenyl]pyridine-2,6-diamine
CID 139369576
1-(1-methoxyethoxy)-2-propylbenzene
CID 173377858
2,6-dimethoxyaniline;ethane
CID 145233133
1-(1-methoxyethoxy)-2-phenylmethoxybenzene
CID 22756308
2-methyl-3-(2-propan-2-yloxyphenyl)aniline
CID 107626705
2-(2,6-dimethoxyphenyl)-6-fluoroaniline
CID 107602899
2-[amino(3-methylbutan-2-yl)amino]-6-methoxyaniline
CID 167071943
5-(1-methoxyethoxy)-1,2-dimethyl-1,2-dihydroacenaphthylene
CID 118673014
5-(3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
CID 117373531
2-methoxy-6-octan-2-yloxyaniline
CID 113392822
2-(3-methylpyrazol-1-yl)-6-propan-2-yloxyaniline
CID 113393421
2-amino-3-(1-methoxypropan-2-yloxy)benzonitrile
CID 104717253

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-3-(1-methoxyethoxy)phenyl]-6-(1-methoxyethoxy)aniline?
The IUPAC name of 2-[2-amino-3-(1-methoxyethoxy)phenyl]-6-(1-methoxyethoxy)aniline (CID 67894523) is 2-[2-amino-3-(1-methoxyethoxy)phenyl]-6-(1-methoxyethoxy)aniline.
What is the SMILES notation for 2-[2-amino-3-(1-methoxyethoxy)phenyl]-6-(1-methoxyethoxy)aniline?
The canonical SMILES for 2-[2-amino-3-(1-methoxyethoxy)phenyl]-6-(1-methoxyethoxy)aniline is COC(C)Oc1cccc(-c2cccc(OC(C)OC)c2N)c1N.
What is the InChIKey of 2-[2-amino-3-(1-methoxyethoxy)phenyl]-6-(1-methoxyethoxy)aniline?
The InChIKey is QVDKUGNTFGWXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-11(21-3)23-15-9-5-7-13(17(15)19)14-8-6-10-16(18(14)20)24-12(2)22-4/h5-12H,19-20H2,1-4H3.
What are the key properties of 2-[2-amino-3-(1-methoxyethoxy)phenyl]-6-(1-methoxyethoxy)aniline?
2-[2-amino-3-(1-methoxyethoxy)phenyl]-6-(1-methoxyethoxy)aniline has a molecular weight of 332.40 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-3-(1-methoxyethoxy)phenyl]-6-(1-methoxyethoxy)aniline is sourced from PubChem (CID 67894523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).