[1-(aminomethyl)cyclohexyl]-(3-bromofuran-2-yl)methanol

C12H18BrNO2 — CID 106889639

IUPAC[1-(aminomethyl)cyclohexyl]-(3-bromofuran-2-yl)methanol
SMILESNCC1(C(O)c2occc2Br)CCCCC1
InChIInChI=1S/C12H18BrNO2/c13-9-4-7-16-10(9)11(15)12(8-14)5-2-1-3-6-12/h4,7,11,15H,1-3,5-6,8,14H2
InChIKeyKDEZELDUHBVKOM-UHFFFAOYSA-N
MW288.18 g/mol
LogP2.98
Rot. Bonds3

About [1-(aminomethyl)cyclohexyl]-(3-bromofuran-2-yl)methanol

[1-(aminomethyl)cyclohexyl]-(3-bromofuran-2-yl)methanol (PubChem CID 106889639) has the molecular formula C12H18BrNO2 and a molecular weight of 288.18 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]-(3-bromofuran-2-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]-(3-bromofuran-2-yl)methanol
PubChem CID106889639
Molecular FormulaC12H18BrNO2
Molecular Weight288.18 g/mol
Exact Mass287.05
IUPAC Name[1-(aminomethyl)cyclohexyl]-(3-bromofuran-2-yl)methanol
SMILESNCC1(C(O)c2occc2Br)CCCCC1
InChIInChI=1S/C12H18BrNO2/c13-9-4-7-16-10(9)11(15)12(8-14)5-2-1-3-6-12/h4,7,11,15H,1-3,5-6,8,14H2
InChIKeyKDEZELDUHBVKOM-UHFFFAOYSA-N
XLogP2.98
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclopropyl]-(3-bromofuran-2-yl)methanol
CID 130513437
1-[(3-bromofuran-2-yl)-hydroxymethyl]cyclohexan-1-ol
CID 103451748
1-[(3-bromofuran-2-yl)-hydroxymethyl]cycloheptan-1-ol
CID 103452084
[1-(aminomethyl)-3-ethylcyclohexyl]-(3-bromofuran-2-yl)methanol
CID 106889658
[1-(aminomethyl)cyclohexyl]-(furan-3-yl)methanol
CID 79138649
(3-bromofuran-2-yl)-(1-ethylcyclopentyl)methanamine
CID 115861563
[1-(aminomethyl)cyclobutyl]-(furan-3-yl)methanol
CID 79138177
1-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066055
(3-bromofuran-2-yl)-(1-methylsulfanylcyclobutyl)methanol
CID 130506442
(3-bromofuran-2-yl)-(1-methylcyclopentyl)methanamine
CID 115861247
[1-(aminomethyl)cycloheptyl]-(7-bromo-1,3-benzodioxol-5-yl)methanol
CID 79126179
(3-bromofuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 106886310

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl]-(3-bromofuran-2-yl)methanol?
The IUPAC name of [1-(aminomethyl)cyclohexyl]-(3-bromofuran-2-yl)methanol (CID 106889639) is [1-(aminomethyl)cyclohexyl]-(3-bromofuran-2-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]-(3-bromofuran-2-yl)methanol?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]-(3-bromofuran-2-yl)methanol is NCC1(C(O)c2occc2Br)CCCCC1.
What is the InChIKey of [1-(aminomethyl)cyclohexyl]-(3-bromofuran-2-yl)methanol?
The InChIKey is KDEZELDUHBVKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c13-9-4-7-16-10(9)11(15)12(8-14)5-2-1-3-6-12/h4,7,11,15H,1-3,5-6,8,14H2.
What are the key properties of [1-(aminomethyl)cyclohexyl]-(3-bromofuran-2-yl)methanol?
[1-(aminomethyl)cyclohexyl]-(3-bromofuran-2-yl)methanol has a molecular weight of 288.18 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl]-(3-bromofuran-2-yl)methanol is sourced from PubChem (CID 106889639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).