2-amino-4-(2-methoxy-5-propylphenyl)-6-propylphenol

C19H25NO2 — CID 122189656

IUPAC2-amino-4-(2-methoxy-5-propylphenyl)-6-propylphenol
SMILESCCCc1ccc(OC)c(-c2cc(N)c(O)c(CCC)c2)c1
InChIInChI=1S/C19H25NO2/c1-4-6-13-8-9-18(22-3)16(10-13)15-11-14(7-5-2)19(21)17(20)12-15/h8-12,21H,4-7,20H2,1-3H3
InChIKeyWQYFFQZUIWFUCN-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.55
Rot. Bonds6

About 2-amino-4-(2-methoxy-5-propylphenyl)-6-propylphenol

2-amino-4-(2-methoxy-5-propylphenyl)-6-propylphenol (PubChem CID 122189656) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-amino-4-(2-methoxy-5-propylphenyl)-6-propylphenol.

Molecular Properties

Compound Name2-amino-4-(2-methoxy-5-propylphenyl)-6-propylphenol
PubChem CID122189656
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name2-amino-4-(2-methoxy-5-propylphenyl)-6-propylphenol
SMILESCCCc1ccc(OC)c(-c2cc(N)c(O)c(CCC)c2)c1
InChIInChI=1S/C19H25NO2/c1-4-6-13-8-9-18(22-3)16(10-13)15-11-14(7-5-2)19(21)17(20)12-15/h8-12,21H,4-7,20H2,1-3H3
InChIKeyWQYFFQZUIWFUCN-UHFFFAOYSA-N
XLogP4.55
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-4-phenylphenol
CID 14562
2-Amino-4,6-di-tert-butylphenol
CID 324555
(6E)-6-[(4-methoxyphenyl)hydrazinylidene]-4-phenylcyclohexa-2,4-dien-1-one
CID 4041039
2,2-Bis(3-amino-4-hydroxylphenyl)propane
CID 223319
3,3'-Diamino-[1,1'-biphenyl]-4,4'-diol
CID 612294
5-[(E)-2-[3-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyaniline
CID 24786217
5-Phenyl-o-anisidine
CID 123489
4'-Methoxy(1,1'-biphenyl)-3-amine
CID 2759563
2-[(4-Ethoxyphenyl)diazenyl]-4-isopropylphenol
CID 3967625
3-Acetamido-4'-ethoxy-3',5-dipropylbiphenyl-2-ol
CID 122189658
2-Amino-6-(4-ethoxy-3-propylphenyl)-4-propylphenol
CID 122189660
5-[(3-Amino-4-methoxyphenyl)methyl]-2-methoxyaniline
CID 796517

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methoxy-5-propylphenyl)-6-propylphenol?
The IUPAC name of 2-amino-4-(2-methoxy-5-propylphenyl)-6-propylphenol (CID 122189656) is 2-amino-4-(2-methoxy-5-propylphenyl)-6-propylphenol.
What is the SMILES notation for 2-amino-4-(2-methoxy-5-propylphenyl)-6-propylphenol?
The canonical SMILES for 2-amino-4-(2-methoxy-5-propylphenyl)-6-propylphenol is CCCc1ccc(OC)c(-c2cc(N)c(O)c(CCC)c2)c1.
What is the InChIKey of 2-amino-4-(2-methoxy-5-propylphenyl)-6-propylphenol?
The InChIKey is WQYFFQZUIWFUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-4-6-13-8-9-18(22-3)16(10-13)15-11-14(7-5-2)19(21)17(20)12-15/h8-12,21H,4-7,20H2,1-3H3.
What are the key properties of 2-amino-4-(2-methoxy-5-propylphenyl)-6-propylphenol?
2-amino-4-(2-methoxy-5-propylphenyl)-6-propylphenol has a molecular weight of 299.41 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methoxy-5-propylphenyl)-6-propylphenol is sourced from PubChem (CID 122189656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).