1-(4-bromothiophen-3-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine

C16H26BrNS — CID 79602849

IUPAC1-(4-bromothiophen-3-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine
SMILESCNC(c1cscc1Br)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H26BrNS/c1-16(2,3)12-7-5-11(6-8-12)15(18-4)13-9-19-10-14(13)17/h9-12,15,18H,5-8H2,1-4H3
InChIKeySCLOFVWOUNXNMT-UHFFFAOYSA-N
MW344.36 g/mol
LogP5.62
Rot. Bonds3

About 1-(4-bromothiophen-3-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine

1-(4-bromothiophen-3-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine (PubChem CID 79602849) has the molecular formula C16H26BrNS and a molecular weight of 344.36 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine
PubChem CID79602849
Molecular FormulaC16H26BrNS
Molecular Weight344.36 g/mol
Exact Mass343.10
IUPAC Name1-(4-bromothiophen-3-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine
SMILESCNC(c1cscc1Br)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H26BrNS/c1-16(2,3)12-7-5-11(6-8-12)15(18-4)13-9-19-10-14(13)17/h9-12,15,18H,5-8H2,1-4H3
InChIKeySCLOFVWOUNXNMT-UHFFFAOYSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.36
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromothiophen-3-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-5-methylthiophen-2-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine
CID 65279451
1-(4-tert-butylcyclohexyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 65400352
1-(4-bromothiophen-3-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105010764
[1-(4-bromothiophen-3-yl)-2-cyclopropylpropyl]hydrazine
CID 105322583
1-(4-tert-butylcyclohexyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 104575722
N-[(4-bromothiophen-3-yl)-(4-butylcyclohexyl)methyl]ethanamine
CID 105010508
1-(4-tert-butylcyclohexyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
CID 55196430
1-cycloheptyl-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 82932611
[(3-bromofuran-2-yl)-(4-tert-butylcyclohexyl)methyl]hydrazine
CID 105232797
[(4-tert-butylcyclohexyl)-thiophen-3-ylmethyl]hydrazine
CID 105232646
1-(4-tert-butylcyclohexyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 63501939
(4-bromothiophen-3-yl)-cyclopropylmethanol
CID 79596364

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine (CID 79602849) is 1-(4-bromothiophen-3-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine is CNC(c1cscc1Br)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine?
The InChIKey is SCLOFVWOUNXNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNS/c1-16(2,3)12-7-5-11(6-8-12)15(18-4)13-9-19-10-14(13)17/h9-12,15,18H,5-8H2,1-4H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine?
1-(4-bromothiophen-3-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine has a molecular weight of 344.36 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 79602849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).