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

C14H22BrNO2 — CID 106889658

IUPAC[1-(aminomethyl)-3-ethylcyclohexyl]-(3-bromofuran-2-yl)methanol
SMILESCCC1CCCC(CN)(C(O)c2occc2Br)C1
InChIInChI=1S/C14H22BrNO2/c1-2-10-4-3-6-14(8-10,9-16)13(17)12-11(15)5-7-18-12/h5,7,10,13,17H,2-4,6,8-9,16H2,1H3
InChIKeyZFKUVELEPSDOOX-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.62
Rot. Bonds4

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

[1-(aminomethyl)-3-ethylcyclohexyl]-(3-bromofuran-2-yl)methanol (PubChem CID 106889658) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is [1-(aminomethyl)-3-ethylcyclohexyl]-(3-bromofuran-2-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-ethylcyclohexyl]-(3-bromofuran-2-yl)methanol
PubChem CID106889658
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC Name[1-(aminomethyl)-3-ethylcyclohexyl]-(3-bromofuran-2-yl)methanol
SMILESCCC1CCCC(CN)(C(O)c2occc2Br)C1
InChIInChI=1S/C14H22BrNO2/c1-2-10-4-3-6-14(8-10,9-16)13(17)12-11(15)5-7-18-12/h5,7,10,13,17H,2-4,6,8-9,16H2,1H3
InChIKeyZFKUVELEPSDOOX-UHFFFAOYSA-N
XLogP3.62
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclohexyl]-(3-bromofuran-2-yl)methanol
CID 106889639
[1-(aminomethyl)cyclopropyl]-(3-bromofuran-2-yl)methanol
CID 130513437
[1-(aminomethyl)-3-ethylcyclohexyl]-phenylmethanol
CID 79135617
[1-(aminomethyl)-3-ethylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol
CID 79137679
[1-(aminomethyl)-3-ethylcyclohexyl]-(5-bromo-2-methoxyphenyl)methanol
CID 79126020
[1-(aminomethyl)-3-ethylcyclopentyl]-(5-bromofuran-2-yl)methanol
CID 79135075
[1-(aminomethyl)-3-ethylcyclohexyl]-[5-(2-methylcyclopropyl)furan-2-yl]methanol
CID 79124113
[1-(aminomethyl)-3-ethylcyclopentyl]-(4-bromothiophen-3-yl)methanol
CID 112739883
[1-(aminomethyl)-3-ethylcyclohexyl]-pyridin-3-ylmethanol
CID 79135100
[1-(aminomethyl)-3-ethylcyclohexyl]-[3-(difluoromethyl)phenyl]methanol
CID 115530085
[1-(aminomethyl)-3-ethylcyclohexyl]-(2,3-dichlorophenyl)methanol
CID 79138325
[1-(aminomethyl)-3-ethylcyclohexyl]-(2,4-difluorophenyl)methanol
CID 79138448

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-ethylcyclohexyl]-(3-bromofuran-2-yl)methanol?
The IUPAC name of [1-(aminomethyl)-3-ethylcyclohexyl]-(3-bromofuran-2-yl)methanol (CID 106889658) is [1-(aminomethyl)-3-ethylcyclohexyl]-(3-bromofuran-2-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3-ethylcyclohexyl]-(3-bromofuran-2-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-3-ethylcyclohexyl]-(3-bromofuran-2-yl)methanol is CCC1CCCC(CN)(C(O)c2occc2Br)C1.
What is the InChIKey of [1-(aminomethyl)-3-ethylcyclohexyl]-(3-bromofuran-2-yl)methanol?
The InChIKey is ZFKUVELEPSDOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-2-10-4-3-6-14(8-10,9-16)13(17)12-11(15)5-7-18-12/h5,7,10,13,17H,2-4,6,8-9,16H2,1H3.
What are the key properties of [1-(aminomethyl)-3-ethylcyclohexyl]-(3-bromofuran-2-yl)methanol?
[1-(aminomethyl)-3-ethylcyclohexyl]-(3-bromofuran-2-yl)methanol has a molecular weight of 316.24 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-ethylcyclohexyl]-(3-bromofuran-2-yl)methanol is sourced from PubChem (CID 106889658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).