4-(4-aminoheptyl)-2-methylphenol

C14H23NO — CID 83922946

IUPAC4-(4-aminoheptyl)-2-methylphenol
SMILESCCCC(N)CCCc1ccc(O)c(C)c1
InChIInChI=1S/C14H23NO/c1-3-5-13(15)7-4-6-12-8-9-14(16)11(2)10-12/h8-10,13,16H,3-7,15H2,1-2H3
InChIKeyRPIIUHDIHAAFNE-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.15
Rot. Bonds6

About 4-(4-aminoheptyl)-2-methylphenol

4-(4-aminoheptyl)-2-methylphenol (PubChem CID 83922946) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-(4-aminoheptyl)-2-methylphenol.

Molecular Properties

Compound Name4-(4-aminoheptyl)-2-methylphenol
PubChem CID83922946
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-(4-aminoheptyl)-2-methylphenol
SMILESCCCC(N)CCCc1ccc(O)c(C)c1
InChIInChI=1S/C14H23NO/c1-3-5-13(15)7-4-6-12-8-9-14(16)11(2)10-12/h8-10,13,16H,3-7,15H2,1-2H3
InChIKeyRPIIUHDIHAAFNE-UHFFFAOYSA-N
XLogP3.15
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)heptan-4-amine
CID 64503666
2-methyl-4-octadecylphenol
CID 3022311
4-butyl-2-methylphenol
CID 10964856
1-(3-bromo-4-methylphenyl)heptan-4-amine
CID 83924298
2-methyl-4-(6-methylheptyl)phenol
CID 154140199
1-(4-hydroxy-3-methylphenyl)heptane-3,4-diol
CID 112717303
2-(4-aminoheptyl)-4-methylphenol
CID 83922824
4-(4-aminoheptyl)aniline
CID 83928416
4-[3-(3,4-dimethylphenyl)propyl]-2-methylphenol
CID 162497681
4-[(2R,3R)-3-[(4-hydroxy-3-methylphenyl)methyl]-2-propylhexyl]-2-methylphenol
CID 121339044
1-(3-bromo-4-ethylphenyl)heptan-4-amine
CID 83921620
6-(4-bromo-3-methylphenyl)hexan-3-amine
CID 83936315

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminoheptyl)-2-methylphenol?
The IUPAC name of 4-(4-aminoheptyl)-2-methylphenol (CID 83922946) is 4-(4-aminoheptyl)-2-methylphenol.
What is the SMILES notation for 4-(4-aminoheptyl)-2-methylphenol?
The canonical SMILES for 4-(4-aminoheptyl)-2-methylphenol is CCCC(N)CCCc1ccc(O)c(C)c1.
What is the InChIKey of 4-(4-aminoheptyl)-2-methylphenol?
The InChIKey is RPIIUHDIHAAFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-5-13(15)7-4-6-12-8-9-14(16)11(2)10-12/h8-10,13,16H,3-7,15H2,1-2H3.
What are the key properties of 4-(4-aminoheptyl)-2-methylphenol?
4-(4-aminoheptyl)-2-methylphenol has a molecular weight of 221.34 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminoheptyl)-2-methylphenol is sourced from PubChem (CID 83922946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).