N-[(4-bromo-5-chlorothiophen-2-yl)methyl]propan-2-amine

C8H11BrClNS — CID 102829960

IUPACN-[(4-bromo-5-chlorothiophen-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cc(Br)c(Cl)s1
InChIInChI=1S/C8H11BrClNS/c1-5(2)11-4-6-3-7(9)8(10)12-6/h3,5,11H,4H2,1-2H3
InChIKeyKBDOYZRKVFQOIB-UHFFFAOYSA-N
MW268.61 g/mol
LogP3.66
Rot. Bonds3

About N-[(4-bromo-5-chlorothiophen-2-yl)methyl]propan-2-amine

N-[(4-bromo-5-chlorothiophen-2-yl)methyl]propan-2-amine (PubChem CID 102829960) has the molecular formula C8H11BrClNS and a molecular weight of 268.61 g/mol. Its IUPAC name is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]propan-2-amine
PubChem CID102829960
Molecular FormulaC8H11BrClNS
Molecular Weight268.61 g/mol
Exact Mass266.95
IUPAC NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cc(Br)c(Cl)s1
InChIInChI=1S/C8H11BrClNS/c1-5(2)11-4-6-3-7(9)8(10)12-6/h3,5,11H,4H2,1-2H3
InChIKeyKBDOYZRKVFQOIB-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.61
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 102836876
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 102835971
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 102832045
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-methylsulfanylpropan-1-amine
CID 102837449
3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-4-methoxybutan-1-ol
CID 103527358
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 102835259
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-ethylcyclobutan-1-amine
CID 102837609
N-[2-[1-[2-(4-bromo-5-chlorothiophen-2-yl)ethyl]cyclopentyl]ethyl]propan-2-amine
CID 102838187
2-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-2-ethylpropane-1,3-diol
CID 103527285
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]cyclobutanamine
CID 102835424
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(5-chlorothiophen-2-yl)methanamine
CID 102835909
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-methylprop-2-en-1-amine
CID 102837874

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]propan-2-amine (CID 102829960) is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]propan-2-amine is CC(C)NCc1cc(Br)c(Cl)s1.
What is the InChIKey of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]propan-2-amine?
The InChIKey is KBDOYZRKVFQOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrClNS/c1-5(2)11-4-6-3-7(9)8(10)12-6/h3,5,11H,4H2,1-2H3.
What are the key properties of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]propan-2-amine?
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]propan-2-amine has a molecular weight of 268.61 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 102829960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).