[5-(5-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethanamine

C15H16BrNS — CID 43806601

IUPAC[5-(5-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethanamine
SMILESCc1ccc(Br)cc1-c1ccc(C(N)C2CC2)s1
InChIInChI=1S/C15H16BrNS/c1-9-2-5-11(16)8-12(9)13-6-7-14(18-13)15(17)10-3-4-10/h2,5-8,10,15H,3-4,17H2,1H3
InChIKeyPBSJCKSYUJESFC-UHFFFAOYSA-N
MW322.27 g/mol
LogP4.90
Rot. Bonds3

About [5-(5-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethanamine

[5-(5-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethanamine (PubChem CID 43806601) has the molecular formula C15H16BrNS and a molecular weight of 322.27 g/mol. Its IUPAC name is [5-(5-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethanamine.

Molecular Properties

Compound Name[5-(5-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethanamine
PubChem CID43806601
Molecular FormulaC15H16BrNS
Molecular Weight322.27 g/mol
Exact Mass321.02
IUPAC Name[5-(5-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethanamine
SMILESCc1ccc(Br)cc1-c1ccc(C(N)C2CC2)s1
InChIInChI=1S/C15H16BrNS/c1-9-2-5-11(16)8-12(9)13-6-7-14(18-13)15(17)10-3-4-10/h2,5-8,10,15H,3-4,17H2,1H3
InChIKeyPBSJCKSYUJESFC-UHFFFAOYSA-N
XLogP4.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(5-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethanamine?
The IUPAC name of [5-(5-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethanamine (CID 43806601) is [5-(5-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethanamine.
What is the SMILES notation for [5-(5-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethanamine?
The canonical SMILES for [5-(5-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethanamine is Cc1ccc(Br)cc1-c1ccc(C(N)C2CC2)s1.
What is the InChIKey of [5-(5-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethanamine?
The InChIKey is PBSJCKSYUJESFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNS/c1-9-2-5-11(16)8-12(9)13-6-7-14(18-13)15(17)10-3-4-10/h2,5-8,10,15H,3-4,17H2,1H3.
What are the key properties of [5-(5-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethanamine?
[5-(5-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethanamine has a molecular weight of 322.27 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethanamine is sourced from PubChem (CID 43806601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).