N-[3-(2-bromophenyl)cyclobutyl]-1-benzothiophen-5-amine

C18H16BrNS — CID 43687891

IUPACN-[3-(2-bromophenyl)cyclobutyl]-1-benzothiophen-5-amine
SMILESBrc1ccccc1C1CC(Nc2ccc3sccc3c2)C1
InChIInChI=1S/C18H16BrNS/c19-17-4-2-1-3-16(17)13-10-15(11-13)20-14-5-6-18-12(9-14)7-8-21-18/h1-9,13,15,20H,10-11H2
InChIKeyBEBMIFITPSMQJL-UHFFFAOYSA-N
MW358.30 g/mol
LogP6.02
Rot. Bonds3

About N-[3-(2-bromophenyl)cyclobutyl]-1-benzothiophen-5-amine

N-[3-(2-bromophenyl)cyclobutyl]-1-benzothiophen-5-amine (PubChem CID 43687891) has the molecular formula C18H16BrNS and a molecular weight of 358.30 g/mol. Its IUPAC name is N-[3-(2-bromophenyl)cyclobutyl]-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-[3-(2-bromophenyl)cyclobutyl]-1-benzothiophen-5-amine
PubChem CID43687891
Molecular FormulaC18H16BrNS
Molecular Weight358.30 g/mol
Exact Mass357.02
IUPAC NameN-[3-(2-bromophenyl)cyclobutyl]-1-benzothiophen-5-amine
SMILESBrc1ccccc1C1CC(Nc2ccc3sccc3c2)C1
InChIInChI=1S/C18H16BrNS/c19-17-4-2-1-3-16(17)13-10-15(11-13)20-14-5-6-18-12(9-14)7-8-21-18/h1-9,13,15,20H,10-11H2
InChIKeyBEBMIFITPSMQJL-UHFFFAOYSA-N
XLogP6.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.30
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-chlorophenyl)cyclobutyl]-1-benzothiophen-5-amine
CID 43687886
3-[[3-(2-bromophenyl)cyclobutyl]amino]phenol
CID 43634745
4-bromo-N-[3-(2-bromophenyl)cyclobutyl]-3-methoxyaniline
CID 82859860
N-[3-(2-bromophenyl)cyclobutyl]-4-methylsulfanylaniline
CID 43633071
N-[3-(2-bromophenyl)cyclobutyl]-4-propan-2-ylaniline
CID 43633251
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-benzothiophen-5-amine
CID 43781963
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-1-benzothiophen-5-amine
CID 43687824
2-bromo-N-[3-(2-bromophenyl)cyclobutyl]aniline
CID 43633521
N-[3-(2-bromophenyl)cyclobutyl]-1H-pyrazol-4-amine
CID 43635550
2,4,6-tribromo-N-[3-(2-bromophenyl)cyclobutyl]aniline
CID 63425206
1-N-(1-benzothiophen-5-yl)cyclohexane-1,3-diamine
CID 79458180
N-[3-(2-bromophenyl)cyclobutyl]-3-ethoxyaniline
CID 63452973

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromophenyl)cyclobutyl]-1-benzothiophen-5-amine?
The IUPAC name of N-[3-(2-bromophenyl)cyclobutyl]-1-benzothiophen-5-amine (CID 43687891) is N-[3-(2-bromophenyl)cyclobutyl]-1-benzothiophen-5-amine.
What is the SMILES notation for N-[3-(2-bromophenyl)cyclobutyl]-1-benzothiophen-5-amine?
The canonical SMILES for N-[3-(2-bromophenyl)cyclobutyl]-1-benzothiophen-5-amine is Brc1ccccc1C1CC(Nc2ccc3sccc3c2)C1.
What is the InChIKey of N-[3-(2-bromophenyl)cyclobutyl]-1-benzothiophen-5-amine?
The InChIKey is BEBMIFITPSMQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNS/c19-17-4-2-1-3-16(17)13-10-15(11-13)20-14-5-6-18-12(9-14)7-8-21-18/h1-9,13,15,20H,10-11H2.
What are the key properties of N-[3-(2-bromophenyl)cyclobutyl]-1-benzothiophen-5-amine?
N-[3-(2-bromophenyl)cyclobutyl]-1-benzothiophen-5-amine has a molecular weight of 358.30 g/mol, XLogP of 6.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromophenyl)cyclobutyl]-1-benzothiophen-5-amine is sourced from PubChem (CID 43687891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).