3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol

C17H27NO — CID 43673906

IUPAC3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol
SMILESCC(C)(C)C1CCCCC1NCc1cccc(O)c1
InChIInChI=1S/C17H27NO/c1-17(2,3)15-9-4-5-10-16(15)18-12-13-7-6-8-14(19)11-13/h6-8,11,15-16,18-19H,4-5,9-10,12H2,1-3H3
InChIKeyXZFUKORJCJUWRV-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.09
Rot. Bonds3

About 3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol

3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol (PubChem CID 43673906) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol
PubChem CID43673906
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol
SMILESCC(C)(C)C1CCCCC1NCc1cccc(O)c1
InChIInChI=1S/C17H27NO/c1-17(2,3)15-9-4-5-10-16(15)18-12-13-7-6-8-14(19)11-13/h6-8,11,15-16,18-19H,4-5,9-10,12H2,1-3H3
InChIKeyXZFUKORJCJUWRV-UHFFFAOYSA-N
XLogP4.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol?
The IUPAC name of 3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol (CID 43673906) is 3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol.
What is the SMILES notation for 3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol?
The canonical SMILES for 3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol is CC(C)(C)C1CCCCC1NCc1cccc(O)c1.
What is the InChIKey of 3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol?
The InChIKey is XZFUKORJCJUWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-17(2,3)15-9-4-5-10-16(15)18-12-13-7-6-8-14(19)11-13/h6-8,11,15-16,18-19H,4-5,9-10,12H2,1-3H3.
What are the key properties of 3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol?
3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol has a molecular weight of 261.41 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-tert-butylcyclohexyl)amino]methyl]phenol is sourced from PubChem (CID 43673906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).