4,5-dimethoxy-2-(2-methylpentoxy)aniline

C14H23NO3 — CID 103282951

IUPAC4,5-dimethoxy-2-(2-methylpentoxy)aniline
SMILESCCCC(C)COc1cc(OC)c(OC)cc1N
InChIInChI=1S/C14H23NO3/c1-5-6-10(2)9-18-12-8-14(17-4)13(16-3)7-11(12)15/h7-8,10H,5-6,9,15H2,1-4H3
InChIKeyKYYSYKSKMWJFIG-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.10
Rot. Bonds7

About 4,5-dimethoxy-2-(2-methylpentoxy)aniline

4,5-dimethoxy-2-(2-methylpentoxy)aniline (PubChem CID 103282951) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 4,5-dimethoxy-2-(2-methylpentoxy)aniline.

Molecular Properties

Compound Name4,5-dimethoxy-2-(2-methylpentoxy)aniline
PubChem CID103282951
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name4,5-dimethoxy-2-(2-methylpentoxy)aniline
SMILESCCCC(C)COc1cc(OC)c(OC)cc1N
InChIInChI=1S/C14H23NO3/c1-5-6-10(2)9-18-12-8-14(17-4)13(16-3)7-11(12)15/h7-8,10H,5-6,9,15H2,1-4H3
InChIKeyKYYSYKSKMWJFIG-UHFFFAOYSA-N
XLogP3.10
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methoxy-5-(2-methylpentoxy)benzoic acid
CID 62264681
5-methoxy-2-(2-methylpentoxy)aniline
CID 62266736
2-methoxy-4-(2-methylpentoxy)aniline
CID 103282930
2-(2-methylpentoxy)aniline
CID 45075234
[3-methoxy-4-(2-methylpentoxy)phenyl]methanol
CID 55055291
4-amino-3-(2-methylpentoxy)benzamide
CID 103282893
2-(2-methylpentoxy)-5-(trifluoromethyl)aniline
CID 45075240
4-(2-methylpentoxy)-6-(trifluoromethyl)pyridin-3-amine
CID 106748590
2-methylpentyl 3-amino-4-methoxybenzoate
CID 62265567
3-iodo-4-(2-methylpentoxy)aniline
CID 103282911
2-ethylsulfanyl-4,5-dimethoxyaniline
CID 12694267
1-[4-methoxy-2-(2-methylpentoxy)phenyl]butan-2-amine
CID 62266259

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-(2-methylpentoxy)aniline?
The IUPAC name of 4,5-dimethoxy-2-(2-methylpentoxy)aniline (CID 103282951) is 4,5-dimethoxy-2-(2-methylpentoxy)aniline.
What is the SMILES notation for 4,5-dimethoxy-2-(2-methylpentoxy)aniline?
The canonical SMILES for 4,5-dimethoxy-2-(2-methylpentoxy)aniline is CCCC(C)COc1cc(OC)c(OC)cc1N.
What is the InChIKey of 4,5-dimethoxy-2-(2-methylpentoxy)aniline?
The InChIKey is KYYSYKSKMWJFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-5-6-10(2)9-18-12-8-14(17-4)13(16-3)7-11(12)15/h7-8,10H,5-6,9,15H2,1-4H3.
What are the key properties of 4,5-dimethoxy-2-(2-methylpentoxy)aniline?
4,5-dimethoxy-2-(2-methylpentoxy)aniline has a molecular weight of 253.34 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-(2-methylpentoxy)aniline is sourced from PubChem (CID 103282951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).