[5-(4-bromophenyl)thiophen-2-yl]-cyclopropylmethanamine

C14H14BrNS — CID 43154410

IUPAC[5-(4-bromophenyl)thiophen-2-yl]-cyclopropylmethanamine
SMILESNC(c1ccc(-c2ccc(Br)cc2)s1)C1CC1
InChIInChI=1S/C14H14BrNS/c15-11-5-3-9(4-6-11)12-7-8-13(17-12)14(16)10-1-2-10/h3-8,10,14H,1-2,16H2
InChIKeyWCKAILKXEBRXCK-UHFFFAOYSA-N
MW308.24 g/mol
LogP4.59
Rot. Bonds3

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

[5-(4-bromophenyl)thiophen-2-yl]-cyclopropylmethanamine (PubChem CID 43154410) has the molecular formula C14H14BrNS and a molecular weight of 308.24 g/mol. Its IUPAC name is [5-(4-bromophenyl)thiophen-2-yl]-cyclopropylmethanamine.

Molecular Properties

Compound Name[5-(4-bromophenyl)thiophen-2-yl]-cyclopropylmethanamine
PubChem CID43154410
Molecular FormulaC14H14BrNS
Molecular Weight308.24 g/mol
Exact Mass307.00
IUPAC Name[5-(4-bromophenyl)thiophen-2-yl]-cyclopropylmethanamine
SMILESNC(c1ccc(-c2ccc(Br)cc2)s1)C1CC1
InChIInChI=1S/C14H14BrNS/c15-11-5-3-9(4-6-11)12-7-8-13(17-12)14(16)10-1-2-10/h3-8,10,14H,1-2,16H2
InChIKeyWCKAILKXEBRXCK-UHFFFAOYSA-N
XLogP4.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(4-bromophenyl)thiophen-2-yl]-cyclopropylmethanamine?
The IUPAC name of [5-(4-bromophenyl)thiophen-2-yl]-cyclopropylmethanamine (CID 43154410) is [5-(4-bromophenyl)thiophen-2-yl]-cyclopropylmethanamine.
What is the SMILES notation for [5-(4-bromophenyl)thiophen-2-yl]-cyclopropylmethanamine?
The canonical SMILES for [5-(4-bromophenyl)thiophen-2-yl]-cyclopropylmethanamine is NC(c1ccc(-c2ccc(Br)cc2)s1)C1CC1.
What is the InChIKey of [5-(4-bromophenyl)thiophen-2-yl]-cyclopropylmethanamine?
The InChIKey is WCKAILKXEBRXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNS/c15-11-5-3-9(4-6-11)12-7-8-13(17-12)14(16)10-1-2-10/h3-8,10,14H,1-2,16H2.
What are the key properties of [5-(4-bromophenyl)thiophen-2-yl]-cyclopropylmethanamine?
[5-(4-bromophenyl)thiophen-2-yl]-cyclopropylmethanamine has a molecular weight of 308.24 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromophenyl)thiophen-2-yl]-cyclopropylmethanamine is sourced from PubChem (CID 43154410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).