3-(4-aminocycloheptyl)phenol

C13H19NO — CID 115024223

IUPAC3-(4-aminocycloheptyl)phenol
SMILESNC1CCCC(c2cccc(O)c2)CC1
InChIInChI=1S/C13H19NO/c14-12-5-1-3-10(7-8-12)11-4-2-6-13(15)9-11/h2,4,6,9-10,12,15H,1,3,5,7-8,14H2
InChIKeyXVYJBSSQXUMPCC-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.77
Rot. Bonds1

About 3-(4-aminocycloheptyl)phenol

3-(4-aminocycloheptyl)phenol (PubChem CID 115024223) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(4-aminocycloheptyl)phenol.

Molecular Properties

Compound Name3-(4-aminocycloheptyl)phenol
PubChem CID115024223
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-(4-aminocycloheptyl)phenol
SMILESNC1CCCC(c2cccc(O)c2)CC1
InChIInChI=1S/C13H19NO/c14-12-5-1-3-10(7-8-12)11-4-2-6-13(15)9-11/h2,4,6,9-10,12,15H,1,3,5,7-8,14H2
InChIKeyXVYJBSSQXUMPCC-UHFFFAOYSA-N
XLogP2.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexylphenol
CID 16036
3-[4-(4-hydroxyphenyl)cyclohexyl]phenol
CID 167227782
3-(1-propan-2-ylazepan-4-yl)phenol
CID 143519435
1,3-dicyclohexylbenzene;hydrogen peroxide
CID 88772360
3-pyrrolidin-3-ylphenol
CID 12937992
1-(3-cyclobutylphenyl)piperidin-4-amine
CID 114605607
4-(4-bromophenyl)cycloheptan-1-amine
CID 115049929
3-pyrrolidin-3-ylphenol;hydrochloride
CID 139593330
3-amino-1-(3-cyclobutylphenyl)cyclobutan-1-ol
CID 114601502
cis-(1S,3R)-3-(3-chlorophenyl)cyclohexan-1-amine
CID 95376050
4-(3-aminocyclohexyl)benzene-1,3-diol
CID 20824670
(E)-3-(3-cyclobutylphenyl)prop-2-en-1-amine
CID 117280896

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminocycloheptyl)phenol?
The IUPAC name of 3-(4-aminocycloheptyl)phenol (CID 115024223) is 3-(4-aminocycloheptyl)phenol.
What is the SMILES notation for 3-(4-aminocycloheptyl)phenol?
The canonical SMILES for 3-(4-aminocycloheptyl)phenol is NC1CCCC(c2cccc(O)c2)CC1.
What is the InChIKey of 3-(4-aminocycloheptyl)phenol?
The InChIKey is XVYJBSSQXUMPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c14-12-5-1-3-10(7-8-12)11-4-2-6-13(15)9-11/h2,4,6,9-10,12,15H,1,3,5,7-8,14H2.
What are the key properties of 3-(4-aminocycloheptyl)phenol?
3-(4-aminocycloheptyl)phenol has a molecular weight of 205.30 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminocycloheptyl)phenol is sourced from PubChem (CID 115024223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).