4-[amino-(5-bromo-2-fluorophenyl)methyl]cyclohexan-1-ol

C13H17BrFNO — CID 116941875

IUPAC4-[amino-(5-bromo-2-fluorophenyl)methyl]cyclohexan-1-ol
SMILESNC(c1cc(Br)ccc1F)C1CCC(O)CC1
InChIInChI=1S/C13H17BrFNO/c14-9-3-6-12(15)11(7-9)13(16)8-1-4-10(17)5-2-8/h3,6-8,10,13,17H,1-2,4-5,16H2
InChIKeyJLCRNNAOEPNKJR-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.14
Rot. Bonds2

About 4-[amino-(5-bromo-2-fluorophenyl)methyl]cyclohexan-1-ol

4-[amino-(5-bromo-2-fluorophenyl)methyl]cyclohexan-1-ol (PubChem CID 116941875) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 4-[amino-(5-bromo-2-fluorophenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[amino-(5-bromo-2-fluorophenyl)methyl]cyclohexan-1-ol
PubChem CID116941875
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name4-[amino-(5-bromo-2-fluorophenyl)methyl]cyclohexan-1-ol
SMILESNC(c1cc(Br)ccc1F)C1CCC(O)CC1
InChIInChI=1S/C13H17BrFNO/c14-9-3-6-12(15)11(7-9)13(16)8-1-4-10(17)5-2-8/h3,6-8,10,13,17H,1-2,4-5,16H2
InChIKeyJLCRNNAOEPNKJR-UHFFFAOYSA-N
XLogP3.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 155487191
(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 79742739
(R)-(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 171200620
(5-bromo-2-fluorophenyl)-(4,4-difluorocyclohexyl)methanamine
CID 105167450
(R)-(4-bromo-2-fluorophenyl)-cyclopropylmethanamine
CID 130968166
3-[amino(cyclopropyl)methyl]-4-fluorophenol
CID 55296615
(5-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 79743119
2-[(R)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol
CID 130715689
2-[(S)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol;hydrochloride
CID 171253387
(5-bromo-2-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 105011945
amino-(5-bromo-2-fluorophenyl)methanol
CID 116939684
3-[(R)-amino(cyclopropyl)methyl]-4-fluorobenzoic acid
CID 162344495

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(5-bromo-2-fluorophenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[amino-(5-bromo-2-fluorophenyl)methyl]cyclohexan-1-ol (CID 116941875) is 4-[amino-(5-bromo-2-fluorophenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[amino-(5-bromo-2-fluorophenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[amino-(5-bromo-2-fluorophenyl)methyl]cyclohexan-1-ol is NC(c1cc(Br)ccc1F)C1CCC(O)CC1.
What is the InChIKey of 4-[amino-(5-bromo-2-fluorophenyl)methyl]cyclohexan-1-ol?
The InChIKey is JLCRNNAOEPNKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c14-9-3-6-12(15)11(7-9)13(16)8-1-4-10(17)5-2-8/h3,6-8,10,13,17H,1-2,4-5,16H2.
What are the key properties of 4-[amino-(5-bromo-2-fluorophenyl)methyl]cyclohexan-1-ol?
4-[amino-(5-bromo-2-fluorophenyl)methyl]cyclohexan-1-ol has a molecular weight of 302.19 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(5-bromo-2-fluorophenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 116941875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).