[1-anilino-4-(2-methylbutan-2-yl)cyclohexyl]methanol

C18H29NO — CID 63428039

IUPAC[1-anilino-4-(2-methylbutan-2-yl)cyclohexyl]methanol
SMILESCCC(C)(C)C1CCC(CO)(Nc2ccccc2)CC1
InChIInChI=1S/C18H29NO/c1-4-17(2,3)15-10-12-18(14-20,13-11-15)19-16-8-6-5-7-9-16/h5-9,15,19-20H,4,10-14H2,1-3H3
InChIKeyAYLDWGBHNVTTDC-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.46
Rot. Bonds5

About [1-anilino-4-(2-methylbutan-2-yl)cyclohexyl]methanol

[1-anilino-4-(2-methylbutan-2-yl)cyclohexyl]methanol (PubChem CID 63428039) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is [1-anilino-4-(2-methylbutan-2-yl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-anilino-4-(2-methylbutan-2-yl)cyclohexyl]methanol
PubChem CID63428039
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name[1-anilino-4-(2-methylbutan-2-yl)cyclohexyl]methanol
SMILESCCC(C)(C)C1CCC(CO)(Nc2ccccc2)CC1
InChIInChI=1S/C18H29NO/c1-4-17(2,3)15-10-12-18(14-20,13-11-15)19-16-8-6-5-7-9-16/h5-9,15,19-20H,4,10-14H2,1-3H3
InChIKeyAYLDWGBHNVTTDC-UHFFFAOYSA-N
XLogP4.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-anilino-4-(2-methylbutan-2-yl)cyclohexyl]methanol?
The IUPAC name of [1-anilino-4-(2-methylbutan-2-yl)cyclohexyl]methanol (CID 63428039) is [1-anilino-4-(2-methylbutan-2-yl)cyclohexyl]methanol.
What is the SMILES notation for [1-anilino-4-(2-methylbutan-2-yl)cyclohexyl]methanol?
The canonical SMILES for [1-anilino-4-(2-methylbutan-2-yl)cyclohexyl]methanol is CCC(C)(C)C1CCC(CO)(Nc2ccccc2)CC1.
What is the InChIKey of [1-anilino-4-(2-methylbutan-2-yl)cyclohexyl]methanol?
The InChIKey is AYLDWGBHNVTTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-17(2,3)15-10-12-18(14-20,13-11-15)19-16-8-6-5-7-9-16/h5-9,15,19-20H,4,10-14H2,1-3H3.
What are the key properties of [1-anilino-4-(2-methylbutan-2-yl)cyclohexyl]methanol?
[1-anilino-4-(2-methylbutan-2-yl)cyclohexyl]methanol has a molecular weight of 275.44 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-anilino-4-(2-methylbutan-2-yl)cyclohexyl]methanol is sourced from PubChem (CID 63428039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).