(1-aminocyclopentyl)-(3-bromophenyl)methanol

C12H16BrNO — CID 82305819

IUPAC(1-aminocyclopentyl)-(3-bromophenyl)methanol
SMILESNC1(C(O)c2cccc(Br)c2)CCCC1
InChIInChI=1S/C12H16BrNO/c13-10-5-3-4-9(8-10)11(15)12(14)6-1-2-7-12/h3-5,8,11,15H,1-2,6-7,14H2
InChIKeyHFVSMIGYJGZWCE-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.75
Rot. Bonds2

About (1-aminocyclopentyl)-(3-bromophenyl)methanol

(1-aminocyclopentyl)-(3-bromophenyl)methanol (PubChem CID 82305819) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is (1-aminocyclopentyl)-(3-bromophenyl)methanol.

Molecular Properties

Compound Name(1-aminocyclopentyl)-(3-bromophenyl)methanol
PubChem CID82305819
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name(1-aminocyclopentyl)-(3-bromophenyl)methanol
SMILESNC1(C(O)c2cccc(Br)c2)CCCC1
InChIInChI=1S/C12H16BrNO/c13-10-5-3-4-9(8-10)11(15)12(14)6-1-2-7-12/h3-5,8,11,15H,1-2,6-7,14H2
InChIKeyHFVSMIGYJGZWCE-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1-aminocyclopentyl)-(3-bromophenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-aminocyclohexyl)-(3-fluorophenyl)methanol
CID 82287146
2-(1-aminocyclopentyl)-N-[1-(3-bromophenyl)ethyl]acetamide
CID 64685994
[1-(aminomethyl)-4-methylcyclohexyl]-(3-bromophenyl)methanol
CID 79136010
N-[1-(3-bromophenyl)ethyl]-1-methylcyclopentane-1-carboxamide
CID 112726205
1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119716410
1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cycloheptane-1-carboxamide
CID 115444286
(1-aminocyclopentyl)-(3-bromophenyl)methanone
CID 82305026
1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclobutane-1-carboxamide
CID 113311577
tert-butyl 1-[(3-bromophenyl)-hydroxymethyl]-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 67285210
1-(3-bromophenyl)-2-cyclobutylethanol
CID 65457872
amino-(3-bromophenyl)methanethiol
CID 116939544
1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 115453559

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-(3-bromophenyl)methanol?
The IUPAC name of (1-aminocyclopentyl)-(3-bromophenyl)methanol (CID 82305819) is (1-aminocyclopentyl)-(3-bromophenyl)methanol.
What is the SMILES notation for (1-aminocyclopentyl)-(3-bromophenyl)methanol?
The canonical SMILES for (1-aminocyclopentyl)-(3-bromophenyl)methanol is NC1(C(O)c2cccc(Br)c2)CCCC1.
What is the InChIKey of (1-aminocyclopentyl)-(3-bromophenyl)methanol?
The InChIKey is HFVSMIGYJGZWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-10-5-3-4-9(8-10)11(15)12(14)6-1-2-7-12/h3-5,8,11,15H,1-2,6-7,14H2.
What are the key properties of (1-aminocyclopentyl)-(3-bromophenyl)methanol?
(1-aminocyclopentyl)-(3-bromophenyl)methanol has a molecular weight of 270.17 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-(3-bromophenyl)methanol is sourced from PubChem (CID 82305819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).