[1-(aminomethyl)-4-ethylcyclohexyl]-(4-bromo-5-chlorothiophen-2-yl)methanol

C14H21BrClNOS — CID 102845379

IUPAC[1-(aminomethyl)-4-ethylcyclohexyl]-(4-bromo-5-chlorothiophen-2-yl)methanol
SMILESCCC1CCC(CN)(C(O)c2cc(Br)c(Cl)s2)CC1
InChIInChI=1S/C14H21BrClNOS/c1-2-9-3-5-14(8-17,6-4-9)12(18)11-7-10(15)13(16)19-11/h7,9,12,18H,2-6,8,17H2,1H3
InChIKeyCIQZUIXBSIAJSO-UHFFFAOYSA-N
MW366.75 g/mol
LogP4.74
Rot. Bonds4

About [1-(aminomethyl)-4-ethylcyclohexyl]-(4-bromo-5-chlorothiophen-2-yl)methanol

[1-(aminomethyl)-4-ethylcyclohexyl]-(4-bromo-5-chlorothiophen-2-yl)methanol (PubChem CID 102845379) has the molecular formula C14H21BrClNOS and a molecular weight of 366.75 g/mol. Its IUPAC name is [1-(aminomethyl)-4-ethylcyclohexyl]-(4-bromo-5-chlorothiophen-2-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4-ethylcyclohexyl]-(4-bromo-5-chlorothiophen-2-yl)methanol
PubChem CID102845379
Molecular FormulaC14H21BrClNOS
Molecular Weight366.75 g/mol
Exact Mass365.02
IUPAC Name[1-(aminomethyl)-4-ethylcyclohexyl]-(4-bromo-5-chlorothiophen-2-yl)methanol
SMILESCCC1CCC(CN)(C(O)c2cc(Br)c(Cl)s2)CC1
InChIInChI=1S/C14H21BrClNOS/c1-2-9-3-5-14(8-17,6-4-9)12(18)11-7-10(15)13(16)19-11/h7,9,12,18H,2-6,8,17H2,1H3
InChIKeyCIQZUIXBSIAJSO-UHFFFAOYSA-N
XLogP4.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.75
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclopropyl]-(4-bromo-5-chlorothiophen-2-yl)methanol
CID 130513429
[1-(aminomethyl)-3-methylcyclohexyl]-(4-bromo-5-chlorothiophen-2-yl)methanol
CID 102845386
[1-(aminomethyl)-4-ethylcyclohexyl]-(5-chlorothiophen-2-yl)methanol
CID 79137694
(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopropyl)methanol
CID 130553458
[1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-chlorophenyl)methanol
CID 83241847
[1-(aminomethyl)-4-ethylcyclohexyl]-(3-bromo-4-methoxyphenyl)methanol
CID 79126161
[1-(aminomethyl)-4-ethylcyclohexyl]-(2,6-dichlorophenyl)methanol
CID 79134806
[1-(aminomethyl)-4-ethylcyclohexyl]-(3-chloro-5-fluorophenyl)methanol
CID 114455039
[1-(aminomethyl)-4-ethylcyclohexyl]-(4-propan-2-ylphenyl)methanol
CID 79123405
[1-(aminomethyl)-4-ethylcyclohexyl]-(2-chlorophenyl)methanol
CID 79135103
[1-(aminomethyl)-3-ethylcyclopentyl]-(3,5-dichlorophenyl)methanol
CID 79138188
[1-(aminomethyl)-3-ethylcyclopentyl]-(5-ethylthiophen-2-yl)methanol
CID 79137906

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-ethylcyclohexyl]-(4-bromo-5-chlorothiophen-2-yl)methanol?
The IUPAC name of [1-(aminomethyl)-4-ethylcyclohexyl]-(4-bromo-5-chlorothiophen-2-yl)methanol (CID 102845379) is [1-(aminomethyl)-4-ethylcyclohexyl]-(4-bromo-5-chlorothiophen-2-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4-ethylcyclohexyl]-(4-bromo-5-chlorothiophen-2-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-4-ethylcyclohexyl]-(4-bromo-5-chlorothiophen-2-yl)methanol is CCC1CCC(CN)(C(O)c2cc(Br)c(Cl)s2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-ethylcyclohexyl]-(4-bromo-5-chlorothiophen-2-yl)methanol?
The InChIKey is CIQZUIXBSIAJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrClNOS/c1-2-9-3-5-14(8-17,6-4-9)12(18)11-7-10(15)13(16)19-11/h7,9,12,18H,2-6,8,17H2,1H3.
What are the key properties of [1-(aminomethyl)-4-ethylcyclohexyl]-(4-bromo-5-chlorothiophen-2-yl)methanol?
[1-(aminomethyl)-4-ethylcyclohexyl]-(4-bromo-5-chlorothiophen-2-yl)methanol has a molecular weight of 366.75 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-ethylcyclohexyl]-(4-bromo-5-chlorothiophen-2-yl)methanol is sourced from PubChem (CID 102845379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).