(4-bromothiophen-3-yl)-(1-methylcyclohexyl)methanamine

C12H18BrNS — CID 106830353

IUPAC(4-bromothiophen-3-yl)-(1-methylcyclohexyl)methanamine
SMILESCC1(C(N)c2cscc2Br)CCCCC1
InChIInChI=1S/C12H18BrNS/c1-12(5-3-2-4-6-12)11(14)9-7-15-8-10(9)13/h7-8,11H,2-6,14H2,1H3
InChIKeyNDTQPDPAUVHSJA-UHFFFAOYSA-N
MW288.25 g/mol
LogP4.48
Rot. Bonds2

About (4-bromothiophen-3-yl)-(1-methylcyclohexyl)methanamine

(4-bromothiophen-3-yl)-(1-methylcyclohexyl)methanamine (PubChem CID 106830353) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(1-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(1-methylcyclohexyl)methanamine
PubChem CID106830353
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC Name(4-bromothiophen-3-yl)-(1-methylcyclohexyl)methanamine
SMILESCC1(C(N)c2cscc2Br)CCCCC1
InChIInChI=1S/C12H18BrNS/c1-12(5-3-2-4-6-12)11(14)9-7-15-8-10(9)13/h7-8,11H,2-6,14H2,1H3
InChIKeyNDTQPDPAUVHSJA-UHFFFAOYSA-N
XLogP4.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[amino-(4-bromothiophen-3-yl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79601627
(2,5-dibromophenyl)-(1-methylcyclohexyl)methanamine
CID 106826771
(7-bromo-1-benzothiophen-3-yl)-(1-methylcyclopentyl)methanamine
CID 81142140
(4-bromothiophen-3-yl)-(2-methyloxan-2-yl)methanol
CID 80684689
1-[amino-(4-bromothiophen-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79602152
(3-bromofuran-2-yl)-(1-methylcyclopentyl)methanamine
CID 115861247
(3-bromo-5-chloro-2-methoxyphenyl)-(1-methylcyclohexyl)methanamine
CID 106826764
(2,5-dichlorothiophen-3-yl)-(1-methylcyclohexyl)methanamine
CID 106826810
(2,5-dimethylfuran-3-yl)-(1-methylcyclohexyl)methanamine
CID 106827005
(1-methylcyclohexyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 106830058
(4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanamine
CID 82295003
1-(4-bromothiophen-3-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 116761996

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(1-methylcyclohexyl)methanamine?
The IUPAC name of (4-bromothiophen-3-yl)-(1-methylcyclohexyl)methanamine (CID 106830353) is (4-bromothiophen-3-yl)-(1-methylcyclohexyl)methanamine.
What is the SMILES notation for (4-bromothiophen-3-yl)-(1-methylcyclohexyl)methanamine?
The canonical SMILES for (4-bromothiophen-3-yl)-(1-methylcyclohexyl)methanamine is CC1(C(N)c2cscc2Br)CCCCC1.
What is the InChIKey of (4-bromothiophen-3-yl)-(1-methylcyclohexyl)methanamine?
The InChIKey is NDTQPDPAUVHSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS/c1-12(5-3-2-4-6-12)11(14)9-7-15-8-10(9)13/h7-8,11H,2-6,14H2,1H3.
What are the key properties of (4-bromothiophen-3-yl)-(1-methylcyclohexyl)methanamine?
(4-bromothiophen-3-yl)-(1-methylcyclohexyl)methanamine has a molecular weight of 288.25 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(1-methylcyclohexyl)methanamine is sourced from PubChem (CID 106830353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).