[1-(2-bromoanilino)-4-propylcycloheptyl]methanol

C17H26BrNO — CID 65090775

IUPAC[1-(2-bromoanilino)-4-propylcycloheptyl]methanol
SMILESCCCC1CCCC(CO)(Nc2ccccc2Br)CC1
InChIInChI=1S/C17H26BrNO/c1-2-6-14-7-5-11-17(13-20,12-10-14)19-16-9-4-3-8-15(16)18/h3-4,8-9,14,19-20H,2,5-7,10-13H2,1H3
InChIKeyJTNFMHQIRGJARR-UHFFFAOYSA-N
MW340.30 g/mol
LogP4.97
Rot. Bonds5

About [1-(2-bromoanilino)-4-propylcycloheptyl]methanol

[1-(2-bromoanilino)-4-propylcycloheptyl]methanol (PubChem CID 65090775) has the molecular formula C17H26BrNO and a molecular weight of 340.30 g/mol. Its IUPAC name is [1-(2-bromoanilino)-4-propylcycloheptyl]methanol.

Molecular Properties

Compound Name[1-(2-bromoanilino)-4-propylcycloheptyl]methanol
PubChem CID65090775
Molecular FormulaC17H26BrNO
Molecular Weight340.30 g/mol
Exact Mass339.12
IUPAC Name[1-(2-bromoanilino)-4-propylcycloheptyl]methanol
SMILESCCCC1CCCC(CO)(Nc2ccccc2Br)CC1
InChIInChI=1S/C17H26BrNO/c1-2-6-14-7-5-11-17(13-20,12-10-14)19-16-9-4-3-8-15(16)18/h3-4,8-9,14,19-20H,2,5-7,10-13H2,1H3
InChIKeyJTNFMHQIRGJARR-UHFFFAOYSA-N
XLogP4.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-bromoanilino)-4-propylcycloheptyl]methanol?
The IUPAC name of [1-(2-bromoanilino)-4-propylcycloheptyl]methanol (CID 65090775) is [1-(2-bromoanilino)-4-propylcycloheptyl]methanol.
What is the SMILES notation for [1-(2-bromoanilino)-4-propylcycloheptyl]methanol?
The canonical SMILES for [1-(2-bromoanilino)-4-propylcycloheptyl]methanol is CCCC1CCCC(CO)(Nc2ccccc2Br)CC1.
What is the InChIKey of [1-(2-bromoanilino)-4-propylcycloheptyl]methanol?
The InChIKey is JTNFMHQIRGJARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-2-6-14-7-5-11-17(13-20,12-10-14)19-16-9-4-3-8-15(16)18/h3-4,8-9,14,19-20H,2,5-7,10-13H2,1H3.
What are the key properties of [1-(2-bromoanilino)-4-propylcycloheptyl]methanol?
[1-(2-bromoanilino)-4-propylcycloheptyl]methanol has a molecular weight of 340.30 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromoanilino)-4-propylcycloheptyl]methanol is sourced from PubChem (CID 65090775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).