N-[(3-bromothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine

C14H19BrF3NS — CID 105173018

IUPACN-[(3-bromothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
SMILESCCNC(c1sccc1Br)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H19BrF3NS/c1-2-19-12(13-11(15)7-8-20-13)9-3-5-10(6-4-9)14(16,17)18/h7-10,12,19H,2-6H2,1H3
InChIKeySKBFBZWXAPRUNT-UHFFFAOYSA-N
MW370.28 g/mol
LogP5.53
Rot. Bonds4

About N-[(3-bromothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine

N-[(3-bromothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine (PubChem CID 105173018) has the molecular formula C14H19BrF3NS and a molecular weight of 370.28 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
PubChem CID105173018
Molecular FormulaC14H19BrF3NS
Molecular Weight370.28 g/mol
Exact Mass369.04
IUPAC NameN-[(3-bromothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
SMILESCCNC(c1sccc1Br)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H19BrF3NS/c1-2-19-12(13-11(15)7-8-20-13)9-3-5-10(6-4-9)14(16,17)18/h7-10,12,19H,2-6H2,1H3
InChIKeySKBFBZWXAPRUNT-UHFFFAOYSA-N
XLogP5.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.28
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 107361656
N-[1-(3-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43788030
N-[(3-bromothiophen-2-yl)-(5-methyloxolan-3-yl)methyl]ethanamine
CID 114825345
2-(3-bromothiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol
CID 105091001
N-[(3-bromothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 80536090
N-ethyl-3-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 105147842
1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
CID 116757917
N-[(4-bromophenyl)-cyclopropylmethyl]ethanamine
CID 43488686
N-[(4-bromothiophen-3-yl)-(4-butylcyclohexyl)methyl]ethanamine
CID 105010508
1-(3-bromothiophen-2-yl)-N-ethylprop-2-yn-1-amine
CID 104995685
N-methyl-1-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105154131
3-bromo-2-[chloro(cyclopropyl)methyl]thiophene
CID 80536056

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[(3-bromothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine (CID 105173018) is N-[(3-bromothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine is CCNC(c1sccc1Br)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The InChIKey is SKBFBZWXAPRUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrF3NS/c1-2-19-12(13-11(15)7-8-20-13)9-3-5-10(6-4-9)14(16,17)18/h7-10,12,19H,2-6H2,1H3.
What are the key properties of N-[(3-bromothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
N-[(3-bromothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine has a molecular weight of 370.28 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 105173018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).