[1-amino-3-(4-bromophenyl)cyclopentyl]methanol

C12H16BrNO — CID 77272966

IUPAC[1-amino-3-(4-bromophenyl)cyclopentyl]methanol
SMILESNC1(CO)CCC(c2ccc(Br)cc2)C1
InChIInChI=1S/C12H16BrNO/c13-11-3-1-9(2-4-11)10-5-6-12(14,7-10)8-15/h1-4,10,15H,5-8,14H2
InChIKeyMKDOHHWCOHETDN-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.41
Rot. Bonds2

About [1-amino-3-(4-bromophenyl)cyclopentyl]methanol

[1-amino-3-(4-bromophenyl)cyclopentyl]methanol (PubChem CID 77272966) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is [1-amino-3-(4-bromophenyl)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-3-(4-bromophenyl)cyclopentyl]methanol
PubChem CID77272966
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name[1-amino-3-(4-bromophenyl)cyclopentyl]methanol
SMILESNC1(CO)CCC(c2ccc(Br)cc2)C1
InChIInChI=1S/C12H16BrNO/c13-11-3-1-9(2-4-11)10-5-6-12(14,7-10)8-15/h1-4,10,15H,5-8,14H2
InChIKeyMKDOHHWCOHETDN-UHFFFAOYSA-N
XLogP2.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-amino-3-(4-bromophenyl)cyclopentyl]methanol?
The IUPAC name of [1-amino-3-(4-bromophenyl)cyclopentyl]methanol (CID 77272966) is [1-amino-3-(4-bromophenyl)cyclopentyl]methanol.
What is the SMILES notation for [1-amino-3-(4-bromophenyl)cyclopentyl]methanol?
The canonical SMILES for [1-amino-3-(4-bromophenyl)cyclopentyl]methanol is NC1(CO)CCC(c2ccc(Br)cc2)C1.
What is the InChIKey of [1-amino-3-(4-bromophenyl)cyclopentyl]methanol?
The InChIKey is MKDOHHWCOHETDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-11-3-1-9(2-4-11)10-5-6-12(14,7-10)8-15/h1-4,10,15H,5-8,14H2.
What are the key properties of [1-amino-3-(4-bromophenyl)cyclopentyl]methanol?
[1-amino-3-(4-bromophenyl)cyclopentyl]methanol has a molecular weight of 270.17 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(4-bromophenyl)cyclopentyl]methanol is sourced from PubChem (CID 77272966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).