2-(4-aminoheptyl)-4-methylphenol

C14H23NO — CID 83922824

IUPAC2-(4-aminoheptyl)-4-methylphenol
SMILESCCCC(N)CCCc1cc(C)ccc1O
InChIInChI=1S/C14H23NO/c1-3-5-13(15)7-4-6-12-10-11(2)8-9-14(12)16/h8-10,13,16H,3-7,15H2,1-2H3
InChIKeyRSFZQRZXYLEVCO-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.15
Rot. Bonds6

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

2-(4-aminoheptyl)-4-methylphenol (PubChem CID 83922824) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(4-aminoheptyl)-4-methylphenol.

Molecular Properties

Compound Name2-(4-aminoheptyl)-4-methylphenol
PubChem CID83922824
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(4-aminoheptyl)-4-methylphenol
SMILESCCCC(N)CCCc1cc(C)ccc1O
InChIInChI=1S/C14H23NO/c1-3-5-13(15)7-4-6-12-10-11(2)8-9-14(12)16/h8-10,13,16H,3-7,15H2,1-2H3
InChIKeyRSFZQRZXYLEVCO-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

2-(4-amino-5-methylhexyl)-4-methylphenol
CID 83922823
4-(4-aminoheptyl)-2-methylphenol
CID 83922946
4-methyl-2-(10-methylundecyl)phenol
CID 19895157
1-(2,4,6-trimethylphenyl)heptan-4-amine
CID 64502731
1-(3,4-dimethylphenyl)heptan-4-amine
CID 64503666
1-(4-ethoxy-2-methylphenyl)heptan-4-amine
CID 83936586
2-[2-(2-hydroxyphenyl)ethyl]-4-methylphenol
CID 154267038
2-(2-hydroxy-5-methylphenyl)acetic acid
CID 13360645
1-(3-bromo-2-methylphenyl)heptan-4-amine
CID 83925953
1-(4-methoxy-2,5-dimethylphenyl)heptan-4-amine
CID 83927771
1-(2,5-dimethylphenyl)pentan-3-amine
CID 61481640
butane;2,4-dimethylphenol;2-methylpentane
CID 143520980

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminoheptyl)-4-methylphenol?
The IUPAC name of 2-(4-aminoheptyl)-4-methylphenol (CID 83922824) is 2-(4-aminoheptyl)-4-methylphenol.
What is the SMILES notation for 2-(4-aminoheptyl)-4-methylphenol?
The canonical SMILES for 2-(4-aminoheptyl)-4-methylphenol is CCCC(N)CCCc1cc(C)ccc1O.
What is the InChIKey of 2-(4-aminoheptyl)-4-methylphenol?
The InChIKey is RSFZQRZXYLEVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-5-13(15)7-4-6-12-10-11(2)8-9-14(12)16/h8-10,13,16H,3-7,15H2,1-2H3.
What are the key properties of 2-(4-aminoheptyl)-4-methylphenol?
2-(4-aminoheptyl)-4-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 2-(4-aminoheptyl)-4-methylphenol is sourced from PubChem (CID 83922824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).