[2-[1-(3-bromophenyl)propylamino]cyclopentyl]methanol

C15H22BrNO — CID 113262133

IUPAC[2-[1-(3-bromophenyl)propylamino]cyclopentyl]methanol
SMILESCCC(NC1CCCC1CO)c1cccc(Br)c1
InChIInChI=1S/C15H22BrNO/c1-2-14(11-5-3-7-13(16)9-11)17-15-8-4-6-12(15)10-18/h3,5,7,9,12,14-15,17-18H,2,4,6,8,10H2,1H3
InChIKeyZUKFHEGYQYJGKE-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.65
Rot. Bonds5

About [2-[1-(3-bromophenyl)propylamino]cyclopentyl]methanol

[2-[1-(3-bromophenyl)propylamino]cyclopentyl]methanol (PubChem CID 113262133) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is [2-[1-(3-bromophenyl)propylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[1-(3-bromophenyl)propylamino]cyclopentyl]methanol
PubChem CID113262133
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name[2-[1-(3-bromophenyl)propylamino]cyclopentyl]methanol
SMILESCCC(NC1CCCC1CO)c1cccc(Br)c1
InChIInChI=1S/C15H22BrNO/c1-2-14(11-5-3-7-13(16)9-11)17-15-8-4-6-12(15)10-18/h3,5,7,9,12,14-15,17-18H,2,4,6,8,10H2,1H3
InChIKeyZUKFHEGYQYJGKE-UHFFFAOYSA-N
XLogP3.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(3-bromophenyl)propylamino]cyclopentyl]methanol?
The IUPAC name of [2-[1-(3-bromophenyl)propylamino]cyclopentyl]methanol (CID 113262133) is [2-[1-(3-bromophenyl)propylamino]cyclopentyl]methanol.
What is the SMILES notation for [2-[1-(3-bromophenyl)propylamino]cyclopentyl]methanol?
The canonical SMILES for [2-[1-(3-bromophenyl)propylamino]cyclopentyl]methanol is CCC(NC1CCCC1CO)c1cccc(Br)c1.
What is the InChIKey of [2-[1-(3-bromophenyl)propylamino]cyclopentyl]methanol?
The InChIKey is ZUKFHEGYQYJGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-2-14(11-5-3-7-13(16)9-11)17-15-8-4-6-12(15)10-18/h3,5,7,9,12,14-15,17-18H,2,4,6,8,10H2,1H3.
What are the key properties of [2-[1-(3-bromophenyl)propylamino]cyclopentyl]methanol?
[2-[1-(3-bromophenyl)propylamino]cyclopentyl]methanol has a molecular weight of 312.25 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(3-bromophenyl)propylamino]cyclopentyl]methanol is sourced from PubChem (CID 113262133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).