3-(2-bromophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine

C16H17BrClNS — CID 106042332

IUPAC3-(2-bromophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine
SMILESClc1ccc(CCNC2CC(c3ccccc3Br)C2)s1
InChIInChI=1S/C16H17BrClNS/c17-15-4-2-1-3-14(15)11-9-12(10-11)19-8-7-13-5-6-16(18)20-13/h1-6,11-12,19H,7-10H2
InChIKeySYVGMDCUHVEGFP-UHFFFAOYSA-N
MW370.74 g/mol
LogP5.24
Rot. Bonds5

About 3-(2-bromophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine

3-(2-bromophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine (PubChem CID 106042332) has the molecular formula C16H17BrClNS and a molecular weight of 370.74 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine
PubChem CID106042332
Molecular FormulaC16H17BrClNS
Molecular Weight370.74 g/mol
Exact Mass369.00
IUPAC Name3-(2-bromophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine
SMILESClc1ccc(CCNC2CC(c3ccccc3Br)C2)s1
InChIInChI=1S/C16H17BrClNS/c17-15-4-2-1-3-14(15)11-9-12(10-11)19-8-7-13-5-6-16(18)20-13/h1-6,11-12,19H,7-10H2
InChIKeySYVGMDCUHVEGFP-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.74
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(2-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
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N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine
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3-(2-bromophenyl)-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine
CID 115516190
3-(2-bromophenyl)-N-(3-propoxypropyl)cyclobutan-1-amine
CID 82940585
3-(2-bromophenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine
CID 80681078
3-(2-bromophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine
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N-[2-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-amine
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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(2-bromophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine (CID 106042332) is 3-(2-bromophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(2-bromophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(2-bromophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine is Clc1ccc(CCNC2CC(c3ccccc3Br)C2)s1.
What is the InChIKey of 3-(2-bromophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine?
The InChIKey is SYVGMDCUHVEGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNS/c17-15-4-2-1-3-14(15)11-9-12(10-11)19-8-7-13-5-6-16(18)20-13/h1-6,11-12,19H,7-10H2.
What are the key properties of 3-(2-bromophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine?
3-(2-bromophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine has a molecular weight of 370.74 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 106042332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).