1-(anilinomethyl)-4-propylcyclohexan-1-ol

C16H25NO — CID 114999848

IUPAC1-(anilinomethyl)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)(CNc2ccccc2)CC1
InChIInChI=1S/C16H25NO/c1-2-6-14-9-11-16(18,12-10-14)13-17-15-7-4-3-5-8-15/h3-5,7-8,14,17-18H,2,6,9-13H2,1H3
InChIKeyUFKCVHZVDOMKAY-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.82
Rot. Bonds5

About 1-(anilinomethyl)-4-propylcyclohexan-1-ol

1-(anilinomethyl)-4-propylcyclohexan-1-ol (PubChem CID 114999848) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(anilinomethyl)-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(anilinomethyl)-4-propylcyclohexan-1-ol
PubChem CID114999848
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(anilinomethyl)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)(CNc2ccccc2)CC1
InChIInChI=1S/C16H25NO/c1-2-6-14-9-11-16(18,12-10-14)13-17-15-7-4-3-5-8-15/h3-5,7-8,14,17-18H,2,6,9-13H2,1H3
InChIKeyUFKCVHZVDOMKAY-UHFFFAOYSA-N
XLogP3.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(anilinomethyl)-4-propylcyclohexan-1-ol?
The IUPAC name of 1-(anilinomethyl)-4-propylcyclohexan-1-ol (CID 114999848) is 1-(anilinomethyl)-4-propylcyclohexan-1-ol.
What is the SMILES notation for 1-(anilinomethyl)-4-propylcyclohexan-1-ol?
The canonical SMILES for 1-(anilinomethyl)-4-propylcyclohexan-1-ol is CCCC1CCC(O)(CNc2ccccc2)CC1.
What is the InChIKey of 1-(anilinomethyl)-4-propylcyclohexan-1-ol?
The InChIKey is UFKCVHZVDOMKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-6-14-9-11-16(18,12-10-14)13-17-15-7-4-3-5-8-15/h3-5,7-8,14,17-18H,2,6,9-13H2,1H3.
What are the key properties of 1-(anilinomethyl)-4-propylcyclohexan-1-ol?
1-(anilinomethyl)-4-propylcyclohexan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(anilinomethyl)-4-propylcyclohexan-1-ol is sourced from PubChem (CID 114999848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).