(1-anilino-2-tert-butylcyclohexyl)methanol

C17H27NO — CID 61046415

IUPAC(1-anilino-2-tert-butylcyclohexyl)methanol
SMILESCC(C)(C)C1CCCCC1(CO)Nc1ccccc1
InChIInChI=1S/C17H27NO/c1-16(2,3)15-11-7-8-12-17(15,13-19)18-14-9-5-4-6-10-14/h4-6,9-10,15,18-19H,7-8,11-13H2,1-3H3
InChIKeyZMSOXCCAZITREY-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.07
Rot. Bonds3

About (1-anilino-2-tert-butylcyclohexyl)methanol

(1-anilino-2-tert-butylcyclohexyl)methanol (PubChem CID 61046415) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (1-anilino-2-tert-butylcyclohexyl)methanol.

Molecular Properties

Compound Name(1-anilino-2-tert-butylcyclohexyl)methanol
PubChem CID61046415
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(1-anilino-2-tert-butylcyclohexyl)methanol
SMILESCC(C)(C)C1CCCCC1(CO)Nc1ccccc1
InChIInChI=1S/C17H27NO/c1-16(2,3)15-11-7-8-12-17(15,13-19)18-14-9-5-4-6-10-14/h4-6,9-10,15,18-19H,7-8,11-13H2,1-3H3
InChIKeyZMSOXCCAZITREY-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-anilino-2-tert-butylcyclohexyl)methanol?
The IUPAC name of (1-anilino-2-tert-butylcyclohexyl)methanol (CID 61046415) is (1-anilino-2-tert-butylcyclohexyl)methanol.
What is the SMILES notation for (1-anilino-2-tert-butylcyclohexyl)methanol?
The canonical SMILES for (1-anilino-2-tert-butylcyclohexyl)methanol is CC(C)(C)C1CCCCC1(CO)Nc1ccccc1.
What is the InChIKey of (1-anilino-2-tert-butylcyclohexyl)methanol?
The InChIKey is ZMSOXCCAZITREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-16(2,3)15-11-7-8-12-17(15,13-19)18-14-9-5-4-6-10-14/h4-6,9-10,15,18-19H,7-8,11-13H2,1-3H3.
What are the key properties of (1-anilino-2-tert-butylcyclohexyl)methanol?
(1-anilino-2-tert-butylcyclohexyl)methanol has a molecular weight of 261.41 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-anilino-2-tert-butylcyclohexyl)methanol is sourced from PubChem (CID 61046415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).