1-(5-bromo-4-chlorothiophen-2-yl)heptan-1-amine

C11H17BrClNS — CID 114752618

IUPAC1-(5-bromo-4-chlorothiophen-2-yl)heptan-1-amine
SMILESCCCCCCC(N)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H17BrClNS/c1-2-3-4-5-6-9(14)10-7-8(13)11(12)15-10/h7,9H,2-6,14H2,1H3
InChIKeyRJDLCRMXNQIZMM-UHFFFAOYSA-N
MW310.69 g/mol
LogP5.13
Rot. Bonds6

About 1-(5-bromo-4-chlorothiophen-2-yl)heptan-1-amine

1-(5-bromo-4-chlorothiophen-2-yl)heptan-1-amine (PubChem CID 114752618) has the molecular formula C11H17BrClNS and a molecular weight of 310.69 g/mol. Its IUPAC name is 1-(5-bromo-4-chlorothiophen-2-yl)heptan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-4-chlorothiophen-2-yl)heptan-1-amine
PubChem CID114752618
Molecular FormulaC11H17BrClNS
Molecular Weight310.69 g/mol
Exact Mass309.00
IUPAC Name1-(5-bromo-4-chlorothiophen-2-yl)heptan-1-amine
SMILESCCCCCCC(N)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H17BrClNS/c1-2-3-4-5-6-9(14)10-7-8(13)11(12)15-10/h7,9H,2-6,14H2,1H3
InChIKeyRJDLCRMXNQIZMM-UHFFFAOYSA-N
XLogP5.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.69
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-4-chlorothiophen-2-yl)pentan-1-amine
CID 80531015
(1S)-1-(4,5-dibromothiophen-2-yl)pentan-1-amine
CID 171235173
1-(5-chloro-4-methylthiophen-2-yl)dodecan-1-amine
CID 102763389
1-(2,5-dibromothiophen-3-yl)decan-1-amine
CID 65447630
(1S)-1-(5-chlorothiophen-2-yl)hexan-1-amine;hydrochloride
CID 171220112
1-(5-bromo-4-chlorothiophen-2-yl)-2-methylbutan-1-amine
CID 80530869
4-amino-4-(5-bromo-4-chlorothiophen-2-yl)-2,2-dimethylbutanamide
CID 80532114
2-bromo-3-chloro-5-(1-chloropropyl)thiophene
CID 80533388
1-(5-methylthiophen-2-yl)octan-1-amine
CID 43125261
1-(5-bromo-4-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanamine
CID 80530877
1-(3-bromo-4-chlorophenyl)octan-1-amine
CID 115566673
1-(3-bromo-4-chlorophenyl)heptan-1-amine
CID 115566954

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)heptan-1-amine?
The IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)heptan-1-amine (CID 114752618) is 1-(5-bromo-4-chlorothiophen-2-yl)heptan-1-amine.
What is the SMILES notation for 1-(5-bromo-4-chlorothiophen-2-yl)heptan-1-amine?
The canonical SMILES for 1-(5-bromo-4-chlorothiophen-2-yl)heptan-1-amine is CCCCCCC(N)c1cc(Cl)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-chlorothiophen-2-yl)heptan-1-amine?
The InChIKey is RJDLCRMXNQIZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrClNS/c1-2-3-4-5-6-9(14)10-7-8(13)11(12)15-10/h7,9H,2-6,14H2,1H3.
What are the key properties of 1-(5-bromo-4-chlorothiophen-2-yl)heptan-1-amine?
1-(5-bromo-4-chlorothiophen-2-yl)heptan-1-amine has a molecular weight of 310.69 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-chlorothiophen-2-yl)heptan-1-amine is sourced from PubChem (CID 114752618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).