N-[[5-(4-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine

C17H20BrNS — CID 81287372

IUPACN-[[5-(4-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine
SMILESCCNC(c1ccc(-c2ccc(Br)cc2C)s1)C1CC1
InChIInChI=1S/C17H20BrNS/c1-3-19-17(12-4-5-12)16-9-8-15(20-16)14-7-6-13(18)10-11(14)2/h6-10,12,17,19H,3-5H2,1-2H3
InChIKeyRFIDNRXGJILCOD-UHFFFAOYSA-N
MW350.33 g/mol
LogP5.55
Rot. Bonds5

About N-[[5-(4-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine

N-[[5-(4-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine (PubChem CID 81287372) has the molecular formula C17H20BrNS and a molecular weight of 350.33 g/mol. Its IUPAC name is N-[[5-(4-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(4-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine
PubChem CID81287372
Molecular FormulaC17H20BrNS
Molecular Weight350.33 g/mol
Exact Mass349.05
IUPAC NameN-[[5-(4-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine
SMILESCCNC(c1ccc(-c2ccc(Br)cc2C)s1)C1CC1
InChIInChI=1S/C17H20BrNS/c1-3-19-17(12-4-5-12)16-9-8-15(20-16)14-7-6-13(18)10-11(14)2/h6-10,12,17,19H,3-5H2,1-2H3
InChIKeyRFIDNRXGJILCOD-UHFFFAOYSA-N
XLogP5.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.33
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl-[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]ethanamine
CID 63401070
N-[cyclopropyl-[5-(2-methylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43288356
N-[[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine
CID 107577053
N-[cyclopropyl-[5-(3-fluoro-4-methylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43287726
N-[cyclopropyl-[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]ethanamine
CID 43288281
N-[cyclopropyl-[5-(2-propylphenyl)thiophen-2-yl]methyl]ethanamine
CID 63400483
N-[(5-chloro-4-methylthiophen-2-yl)-cyclopropylmethyl]ethanamine
CID 102763969
N-[cyclopropyl-[5-(4-iodophenyl)thiophen-2-yl]methyl]ethanamine
CID 43288082
1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylethanamine
CID 43288278
1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine
CID 43288275
1-[5-(2-chloro-4-methylphenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine
CID 43287807
N-[[5-(2-bromo-3-chlorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine
CID 103481065

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine?
The IUPAC name of N-[[5-(4-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine (CID 81287372) is N-[[5-(4-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine.
What is the SMILES notation for N-[[5-(4-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine?
The canonical SMILES for N-[[5-(4-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine is CCNC(c1ccc(-c2ccc(Br)cc2C)s1)C1CC1.
What is the InChIKey of N-[[5-(4-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine?
The InChIKey is RFIDNRXGJILCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNS/c1-3-19-17(12-4-5-12)16-9-8-15(20-16)14-7-6-13(18)10-11(14)2/h6-10,12,17,19H,3-5H2,1-2H3.
What are the key properties of N-[[5-(4-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine?
N-[[5-(4-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine has a molecular weight of 350.33 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine is sourced from PubChem (CID 81287372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).