(3-bromothiophen-2-yl)-(1-methoxycyclohexyl)methanamine

C12H18BrNOS — CID 116762604

IUPAC(3-bromothiophen-2-yl)-(1-methoxycyclohexyl)methanamine
SMILESCOC1(C(N)c2sccc2Br)CCCCC1
InChIInChI=1S/C12H18BrNOS/c1-15-12(6-3-2-4-7-12)11(14)10-9(13)5-8-16-10/h5,8,11H,2-4,6-7,14H2,1H3
InChIKeyGKJFHVCTUKRUAX-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.86
Rot. Bonds3

About (3-bromothiophen-2-yl)-(1-methoxycyclohexyl)methanamine

(3-bromothiophen-2-yl)-(1-methoxycyclohexyl)methanamine (PubChem CID 116762604) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(1-methoxycyclohexyl)methanamine.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(1-methoxycyclohexyl)methanamine
PubChem CID116762604
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC Name(3-bromothiophen-2-yl)-(1-methoxycyclohexyl)methanamine
SMILESCOC1(C(N)c2sccc2Br)CCCCC1
InChIInChI=1S/C12H18BrNOS/c1-15-12(6-3-2-4-7-12)11(14)10-9(13)5-8-16-10/h5,8,11H,2-4,6-7,14H2,1H3
InChIKeyGKJFHVCTUKRUAX-UHFFFAOYSA-N
XLogP3.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorothiophen-2-yl)-(1-methoxycyclohexyl)methanamine
CID 107360272
1-(3-bromothiophen-2-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
CID 116762885
1-(3-bromothiophen-2-yl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
CID 116770817
N-[(3-bromothiophen-2-yl)-(1-ethoxycycloheptyl)methyl]ethanamine
CID 116770975
(3-chlorothiophen-2-yl)-(1-methoxycycloheptyl)methanol
CID 107359647
1-[(3-bromothiophen-2-yl)-hydroxymethyl]cycloheptan-1-ol
CID 103451994
(1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine
CID 131098099
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methoxycyclohexyl)methanamine
CID 114661786
(3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanamine
CID 106646099
(3,5-dimethylphenyl)-(1-methoxycycloheptyl)methanamine
CID 116769915
(S)-(3-bromothiophen-2-yl)-cyclohexylmethanamine
CID 130055125
N-[(3-bromothiophen-2-yl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 116765142

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(1-methoxycyclohexyl)methanamine?
The IUPAC name of (3-bromothiophen-2-yl)-(1-methoxycyclohexyl)methanamine (CID 116762604) is (3-bromothiophen-2-yl)-(1-methoxycyclohexyl)methanamine.
What is the SMILES notation for (3-bromothiophen-2-yl)-(1-methoxycyclohexyl)methanamine?
The canonical SMILES for (3-bromothiophen-2-yl)-(1-methoxycyclohexyl)methanamine is COC1(C(N)c2sccc2Br)CCCCC1.
What is the InChIKey of (3-bromothiophen-2-yl)-(1-methoxycyclohexyl)methanamine?
The InChIKey is GKJFHVCTUKRUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-15-12(6-3-2-4-7-12)11(14)10-9(13)5-8-16-10/h5,8,11H,2-4,6-7,14H2,1H3.
What are the key properties of (3-bromothiophen-2-yl)-(1-methoxycyclohexyl)methanamine?
(3-bromothiophen-2-yl)-(1-methoxycyclohexyl)methanamine has a molecular weight of 304.25 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(1-methoxycyclohexyl)methanamine is sourced from PubChem (CID 116762604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).