[5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-cyclopropylmethanamine

C16H18BrNS — CID 81289491

IUPAC[5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-cyclopropylmethanamine
SMILESCCc1cc(Br)ccc1-c1ccc(C(N)C2CC2)s1
InChIInChI=1S/C16H18BrNS/c1-2-10-9-12(17)5-6-13(10)14-7-8-15(19-14)16(18)11-3-4-11/h5-9,11,16H,2-4,18H2,1H3
InChIKeyCINGPURCKDGIBC-UHFFFAOYSA-N
MW336.30 g/mol
LogP5.15
Rot. Bonds4

About [5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-cyclopropylmethanamine

[5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-cyclopropylmethanamine (PubChem CID 81289491) has the molecular formula C16H18BrNS and a molecular weight of 336.30 g/mol. Its IUPAC name is [5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-cyclopropylmethanamine.

Molecular Properties

Compound Name[5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-cyclopropylmethanamine
PubChem CID81289491
Molecular FormulaC16H18BrNS
Molecular Weight336.30 g/mol
Exact Mass335.03
IUPAC Name[5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-cyclopropylmethanamine
SMILESCCc1cc(Br)ccc1-c1ccc(C(N)C2CC2)s1
InChIInChI=1S/C16H18BrNS/c1-2-10-9-12(17)5-6-13(10)14-7-8-15(19-14)16(18)11-3-4-11/h5-9,11,16H,2-4,18H2,1H3
InChIKeyCINGPURCKDGIBC-UHFFFAOYSA-N
XLogP5.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.30
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-cyclopropylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-cyclopropylmethanamine?
The IUPAC name of [5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-cyclopropylmethanamine (CID 81289491) is [5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-cyclopropylmethanamine.
What is the SMILES notation for [5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-cyclopropylmethanamine?
The canonical SMILES for [5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-cyclopropylmethanamine is CCc1cc(Br)ccc1-c1ccc(C(N)C2CC2)s1.
What is the InChIKey of [5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-cyclopropylmethanamine?
The InChIKey is CINGPURCKDGIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNS/c1-2-10-9-12(17)5-6-13(10)14-7-8-15(19-14)16(18)11-3-4-11/h5-9,11,16H,2-4,18H2,1H3.
What are the key properties of [5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-cyclopropylmethanamine?
[5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-cyclopropylmethanamine has a molecular weight of 336.30 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-cyclopropylmethanamine is sourced from PubChem (CID 81289491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).