2-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]phenol

C17H27NO — CID 107700309

IUPAC2-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]phenol
SMILESCc1ccc(NC2CCCC(CC(C)C)C2)cc1O
InChIInChI=1S/C17H27NO/c1-12(2)9-14-5-4-6-15(10-14)18-16-8-7-13(3)17(19)11-16/h7-8,11-12,14-15,18-19H,4-6,9-10H2,1-3H3
InChIKeyAPEJZABBDOOOQP-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.72
Rot. Bonds4

About 2-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]phenol

2-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]phenol (PubChem CID 107700309) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]phenol.

Molecular Properties

Compound Name2-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]phenol
PubChem CID107700309
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]phenol
SMILESCc1ccc(NC2CCCC(CC(C)C)C2)cc1O
InChIInChI=1S/C17H27NO/c1-12(2)9-14-5-4-6-15(10-14)18-16-8-7-13(3)17(19)11-16/h7-8,11-12,14-15,18-19H,4-6,9-10H2,1-3H3
InChIKeyAPEJZABBDOOOQP-UHFFFAOYSA-N
XLogP4.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]phenol?
The IUPAC name of 2-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]phenol (CID 107700309) is 2-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]phenol.
What is the SMILES notation for 2-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]phenol?
The canonical SMILES for 2-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]phenol is Cc1ccc(NC2CCCC(CC(C)C)C2)cc1O.
What is the InChIKey of 2-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]phenol?
The InChIKey is APEJZABBDOOOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12(2)9-14-5-4-6-15(10-14)18-16-8-7-13(3)17(19)11-16/h7-8,11-12,14-15,18-19H,4-6,9-10H2,1-3H3.
What are the key properties of 2-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]phenol?
2-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]phenol has a molecular weight of 261.41 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]phenol is sourced from PubChem (CID 107700309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).