4-[3-(4-amino-3-methylphenyl)pentan-3-yl]-2-methylphenol

C19H25NO — CID 71712304

IUPAC4-[3-(4-amino-3-methylphenyl)pentan-3-yl]-2-methylphenol
SMILESCCC(CC)(c1ccc(N)c(C)c1)c1ccc(O)c(C)c1
InChIInChI=1S/C19H25NO/c1-5-19(6-2,15-7-9-17(20)13(3)11-15)16-8-10-18(21)14(4)12-16/h7-12,21H,5-6,20H2,1-4H3
InChIKeyVPXDZYWOCIIVMM-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.70
Rot. Bonds4

About 4-[3-(4-amino-3-methylphenyl)pentan-3-yl]-2-methylphenol

4-[3-(4-amino-3-methylphenyl)pentan-3-yl]-2-methylphenol (PubChem CID 71712304) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-[3-(4-amino-3-methylphenyl)pentan-3-yl]-2-methylphenol.

Molecular Properties

Compound Name4-[3-(4-amino-3-methylphenyl)pentan-3-yl]-2-methylphenol
PubChem CID71712304
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name4-[3-(4-amino-3-methylphenyl)pentan-3-yl]-2-methylphenol
SMILESCCC(CC)(c1ccc(N)c(C)c1)c1ccc(O)c(C)c1
InChIInChI=1S/C19H25NO/c1-5-19(6-2,15-7-9-17(20)13(3)11-15)16-8-10-18(21)14(4)12-16/h7-12,21H,5-6,20H2,1-4H3
InChIKeyVPXDZYWOCIIVMM-UHFFFAOYSA-N
XLogP4.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(4-amino-3-methylphenyl)pentan-3-yl]-2-methylaniline
CID 59136509
4-(2-hydrazinylbutan-2-yl)-2-methylphenol
CID 144756619
4-[3-(4-methoxyphenyl)pentan-3-yl]-2-methylphenol
CID 58775978
4-[(2R)-2-aminobutan-2-yl]-2-methylphenol
CID 131037914
ethane;4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenol
CID 142882643
2,2-bis(4-hydroxy-3-methylphenyl)butanoic acid
CID 68969545
[4-[3-(4-amino-3-methylphenyl)pentan-3-yl]-2-methylphenyl] trifluoromethanesulfonate
CID 58598268
ethyl 2-[2-(aminomethyl)-4-[3-(4-hydroxy-3-methylphenyl)pentan-3-yl]phenyl]acetate
CID 174546939
4-[3-[4-(3-hydroxy-3-methylbut-1-enyl)-3-methylphenyl]pentan-3-yl]-2-methylphenol
CID 69334425
4-[3-(3,4-dimethylphenyl)pentan-3-yl]-1,2-dimethylbenzene
CID 58775966
1-[(E)-2-[4-[3-(4-amino-3-methylphenyl)pentan-3-yl]-2-methylphenyl]ethenyl]cyclohexan-1-ol
CID 89288795
4-[3-[4-(3-hydroxy-3-propylhex-1-ynyl)-3-methylphenyl]pentan-3-yl]-2-methylphenol
CID 58598379

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-amino-3-methylphenyl)pentan-3-yl]-2-methylphenol?
The IUPAC name of 4-[3-(4-amino-3-methylphenyl)pentan-3-yl]-2-methylphenol (CID 71712304) is 4-[3-(4-amino-3-methylphenyl)pentan-3-yl]-2-methylphenol.
What is the SMILES notation for 4-[3-(4-amino-3-methylphenyl)pentan-3-yl]-2-methylphenol?
The canonical SMILES for 4-[3-(4-amino-3-methylphenyl)pentan-3-yl]-2-methylphenol is CCC(CC)(c1ccc(N)c(C)c1)c1ccc(O)c(C)c1.
What is the InChIKey of 4-[3-(4-amino-3-methylphenyl)pentan-3-yl]-2-methylphenol?
The InChIKey is VPXDZYWOCIIVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-5-19(6-2,15-7-9-17(20)13(3)11-15)16-8-10-18(21)14(4)12-16/h7-12,21H,5-6,20H2,1-4H3.
What are the key properties of 4-[3-(4-amino-3-methylphenyl)pentan-3-yl]-2-methylphenol?
4-[3-(4-amino-3-methylphenyl)pentan-3-yl]-2-methylphenol has a molecular weight of 283.42 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-amino-3-methylphenyl)pentan-3-yl]-2-methylphenol is sourced from PubChem (CID 71712304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).