[1-(2-bromoanilino)-3-(2-methylpropyl)cyclohexyl]methanol

C17H26BrNO — CID 107430203

IUPAC[1-(2-bromoanilino)-3-(2-methylpropyl)cyclohexyl]methanol
SMILESCC(C)CC1CCCC(CO)(Nc2ccccc2Br)C1
InChIInChI=1S/C17H26BrNO/c1-13(2)10-14-6-5-9-17(11-14,12-20)19-16-8-4-3-7-15(16)18/h3-4,7-8,13-14,19-20H,5-6,9-12H2,1-2H3
InChIKeyFYZDJVUTBOGHHP-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.83
Rot. Bonds5

About [1-(2-bromoanilino)-3-(2-methylpropyl)cyclohexyl]methanol

[1-(2-bromoanilino)-3-(2-methylpropyl)cyclohexyl]methanol (PubChem CID 107430203) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is [1-(2-bromoanilino)-3-(2-methylpropyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(2-bromoanilino)-3-(2-methylpropyl)cyclohexyl]methanol
PubChem CID107430203
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name[1-(2-bromoanilino)-3-(2-methylpropyl)cyclohexyl]methanol
SMILESCC(C)CC1CCCC(CO)(Nc2ccccc2Br)C1
InChIInChI=1S/C17H26BrNO/c1-13(2)10-14-6-5-9-17(11-14,12-20)19-16-8-4-3-7-15(16)18/h3-4,7-8,13-14,19-20H,5-6,9-12H2,1-2H3
InChIKeyFYZDJVUTBOGHHP-UHFFFAOYSA-N
XLogP4.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-bromoanilino)-3-(2-methylpropyl)cyclohexyl]methanol?
The IUPAC name of [1-(2-bromoanilino)-3-(2-methylpropyl)cyclohexyl]methanol (CID 107430203) is [1-(2-bromoanilino)-3-(2-methylpropyl)cyclohexyl]methanol.
What is the SMILES notation for [1-(2-bromoanilino)-3-(2-methylpropyl)cyclohexyl]methanol?
The canonical SMILES for [1-(2-bromoanilino)-3-(2-methylpropyl)cyclohexyl]methanol is CC(C)CC1CCCC(CO)(Nc2ccccc2Br)C1.
What is the InChIKey of [1-(2-bromoanilino)-3-(2-methylpropyl)cyclohexyl]methanol?
The InChIKey is FYZDJVUTBOGHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-13(2)10-14-6-5-9-17(11-14,12-20)19-16-8-4-3-7-15(16)18/h3-4,7-8,13-14,19-20H,5-6,9-12H2,1-2H3.
What are the key properties of [1-(2-bromoanilino)-3-(2-methylpropyl)cyclohexyl]methanol?
[1-(2-bromoanilino)-3-(2-methylpropyl)cyclohexyl]methanol has a molecular weight of 340.31 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromoanilino)-3-(2-methylpropyl)cyclohexyl]methanol is sourced from PubChem (CID 107430203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).