3-[(2,5-dimethylcyclohexyl)amino]phenol

C14H21NO — CID 64776789

IUPAC3-[(2,5-dimethylcyclohexyl)amino]phenol
SMILESCC1CCC(C)C(Nc2cccc(O)c2)C1
InChIInChI=1S/C14H21NO/c1-10-6-7-11(2)14(8-10)15-12-4-3-5-13(16)9-12/h3-5,9-11,14-16H,6-8H2,1-2H3
InChIKeyDQPVHBOZVWXBRS-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.63
Rot. Bonds2

About 3-[(2,5-dimethylcyclohexyl)amino]phenol

3-[(2,5-dimethylcyclohexyl)amino]phenol (PubChem CID 64776789) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-[(2,5-dimethylcyclohexyl)amino]phenol.

Molecular Properties

Compound Name3-[(2,5-dimethylcyclohexyl)amino]phenol
PubChem CID64776789
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-[(2,5-dimethylcyclohexyl)amino]phenol
SMILESCC1CCC(C)C(Nc2cccc(O)c2)C1
InChIInChI=1S/C14H21NO/c1-10-6-7-11(2)14(8-10)15-12-4-3-5-13(16)9-12/h3-5,9-11,14-16H,6-8H2,1-2H3
InChIKeyDQPVHBOZVWXBRS-UHFFFAOYSA-N
XLogP3.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylcyclohexyl)amino]phenol?
The IUPAC name of 3-[(2,5-dimethylcyclohexyl)amino]phenol (CID 64776789) is 3-[(2,5-dimethylcyclohexyl)amino]phenol.
What is the SMILES notation for 3-[(2,5-dimethylcyclohexyl)amino]phenol?
The canonical SMILES for 3-[(2,5-dimethylcyclohexyl)amino]phenol is CC1CCC(C)C(Nc2cccc(O)c2)C1.
What is the InChIKey of 3-[(2,5-dimethylcyclohexyl)amino]phenol?
The InChIKey is DQPVHBOZVWXBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-6-7-11(2)14(8-10)15-12-4-3-5-13(16)9-12/h3-5,9-11,14-16H,6-8H2,1-2H3.
What are the key properties of 3-[(2,5-dimethylcyclohexyl)amino]phenol?
3-[(2,5-dimethylcyclohexyl)amino]phenol has a molecular weight of 219.33 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylcyclohexyl)amino]phenol is sourced from PubChem (CID 64776789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).