(4-bromo-3-fluorophenyl)-(3-chlorothiophen-2-yl)methanamine

C11H8BrClFNS — CID 80529738

IUPAC(4-bromo-3-fluorophenyl)-(3-chlorothiophen-2-yl)methanamine
SMILESNC(c1ccc(Br)c(F)c1)c1sccc1Cl
InChIInChI=1S/C11H8BrClFNS/c12-7-2-1-6(5-9(7)14)10(15)11-8(13)3-4-16-11/h1-5,10H,15H2
InChIKeyLPANAAKKCNCIBK-UHFFFAOYSA-N
MW320.61 g/mol
LogP4.35
Rot. Bonds2

About (4-bromo-3-fluorophenyl)-(3-chlorothiophen-2-yl)methanamine

(4-bromo-3-fluorophenyl)-(3-chlorothiophen-2-yl)methanamine (PubChem CID 80529738) has the molecular formula C11H8BrClFNS and a molecular weight of 320.61 g/mol. Its IUPAC name is (4-bromo-3-fluorophenyl)-(3-chlorothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-3-fluorophenyl)-(3-chlorothiophen-2-yl)methanamine
PubChem CID80529738
Molecular FormulaC11H8BrClFNS
Molecular Weight320.61 g/mol
Exact Mass318.92
IUPAC Name(4-bromo-3-fluorophenyl)-(3-chlorothiophen-2-yl)methanamine
SMILESNC(c1ccc(Br)c(F)c1)c1sccc1Cl
InChIInChI=1S/C11H8BrClFNS/c12-7-2-1-6(5-9(7)14)10(15)11-8(13)3-4-16-11/h1-5,10H,15H2
InChIKeyLPANAAKKCNCIBK-UHFFFAOYSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine
CID 80529677
(S)-(4-bromo-3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171201796
(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 80529980
(3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanamine
CID 80536306
2-[bromo-(4-bromo-2,5-difluorophenyl)methyl]-3-chlorothiophene
CID 80641887
(S)-(3-chlorothiophen-2-yl)-thiophen-3-ylmethanamine;hydrochloride
CID 171222771
(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 80529927
2-(3-bromo-2,6-difluorophenyl)-1-(3-chlorothiophen-2-yl)ethanamine
CID 106274096
(3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanamine
CID 80644112
(3-chlorothiophen-2-yl)-(3-ethylphenyl)methanamine
CID 105018799
(3-chlorothiophen-2-yl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 80644294
6-[amino-(3-chlorothiophen-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 80643902

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-fluorophenyl)-(3-chlorothiophen-2-yl)methanamine?
The IUPAC name of (4-bromo-3-fluorophenyl)-(3-chlorothiophen-2-yl)methanamine (CID 80529738) is (4-bromo-3-fluorophenyl)-(3-chlorothiophen-2-yl)methanamine.
What is the SMILES notation for (4-bromo-3-fluorophenyl)-(3-chlorothiophen-2-yl)methanamine?
The canonical SMILES for (4-bromo-3-fluorophenyl)-(3-chlorothiophen-2-yl)methanamine is NC(c1ccc(Br)c(F)c1)c1sccc1Cl.
What is the InChIKey of (4-bromo-3-fluorophenyl)-(3-chlorothiophen-2-yl)methanamine?
The InChIKey is LPANAAKKCNCIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFNS/c12-7-2-1-6(5-9(7)14)10(15)11-8(13)3-4-16-11/h1-5,10H,15H2.
What are the key properties of (4-bromo-3-fluorophenyl)-(3-chlorothiophen-2-yl)methanamine?
(4-bromo-3-fluorophenyl)-(3-chlorothiophen-2-yl)methanamine has a molecular weight of 320.61 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-fluorophenyl)-(3-chlorothiophen-2-yl)methanamine is sourced from PubChem (CID 80529738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).