3-[amino(cyclohexyl)methyl]phenol

C13H19NO — CID 105457850

IUPAC3-[amino(cyclohexyl)methyl]phenol
SMILESNC(c1cccc(O)c1)C1CCCCC1
InChIInChI=1S/C13H19NO/c14-13(10-5-2-1-3-6-10)11-7-4-8-12(15)9-11/h4,7-10,13,15H,1-3,5-6,14H2
InChIKeyRROCGLRMTAHQME-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.97
Rot. Bonds2

About 3-[amino(cyclohexyl)methyl]phenol

3-[amino(cyclohexyl)methyl]phenol (PubChem CID 105457850) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[amino(cyclohexyl)methyl]phenol.

Molecular Properties

Compound Name3-[amino(cyclohexyl)methyl]phenol
PubChem CID105457850
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-[amino(cyclohexyl)methyl]phenol
SMILESNC(c1cccc(O)c1)C1CCCCC1
InChIInChI=1S/C13H19NO/c14-13(10-5-2-1-3-6-10)11-7-4-8-12(15)9-11/h4,7-10,13,15H,1-3,5-6,14H2
InChIKeyRROCGLRMTAHQME-UHFFFAOYSA-N
XLogP2.97
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride
CID 171218060
3-[(R)-amino(piperidin-4-yl)methyl]phenol;hydrochloride
CID 171314082
(S)-cyclohexyl-(3-propan-2-ylphenyl)methanamine
CID 171231604
(S)-(3-bromophenyl)-cyclohexylmethanamine
CID 93312550
(S)-cyclohexyl-(3-iodophenyl)methanamine;hydrochloride
CID 171230172
(R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199156
3-[amino(pyrrolidin-3-yl)methyl]phenol
CID 105446386
cyclohexyl(phenyl)methanamine
CID 11064121
3-[1-cyclohexyl-2-(methylamino)ethyl]phenol
CID 105493594
4-[(R)-amino(cyclopentyl)methyl]benzene-1,2-diol
CID 131343814
3-[1-amino-2-(cyclobutylamino)ethyl]phenol
CID 117242584
cyclooctyl-[3-(2-methylpropyl)phenyl]methanamine
CID 116544893

Frequently Asked Questions

What is the IUPAC name of 3-[amino(cyclohexyl)methyl]phenol?
The IUPAC name of 3-[amino(cyclohexyl)methyl]phenol (CID 105457850) is 3-[amino(cyclohexyl)methyl]phenol.
What is the SMILES notation for 3-[amino(cyclohexyl)methyl]phenol?
The canonical SMILES for 3-[amino(cyclohexyl)methyl]phenol is NC(c1cccc(O)c1)C1CCCCC1.
What is the InChIKey of 3-[amino(cyclohexyl)methyl]phenol?
The InChIKey is RROCGLRMTAHQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c14-13(10-5-2-1-3-6-10)11-7-4-8-12(15)9-11/h4,7-10,13,15H,1-3,5-6,14H2.
What are the key properties of 3-[amino(cyclohexyl)methyl]phenol?
3-[amino(cyclohexyl)methyl]phenol has a molecular weight of 205.30 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(cyclohexyl)methyl]phenol is sourced from PubChem (CID 105457850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).