N-[cyclopropyl-[5-(2-propylphenyl)thiophen-2-yl]methyl]ethanamine

C19H25NS — CID 63400483

IUPACN-[cyclopropyl-[5-(2-propylphenyl)thiophen-2-yl]methyl]ethanamine
SMILESCCCc1ccccc1-c1ccc(C(NCC)C2CC2)s1
InChIInChI=1S/C19H25NS/c1-3-7-14-8-5-6-9-16(14)17-12-13-18(21-17)19(20-4-2)15-10-11-15/h5-6,8-9,12-13,15,19-20H,3-4,7,10-11H2,1-2H3
InChIKeyISLWCWQMFQRTNW-UHFFFAOYSA-N
MW299.48 g/mol
LogP5.43
Rot. Bonds7

About N-[cyclopropyl-[5-(2-propylphenyl)thiophen-2-yl]methyl]ethanamine

N-[cyclopropyl-[5-(2-propylphenyl)thiophen-2-yl]methyl]ethanamine (PubChem CID 63400483) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-[cyclopropyl-[5-(2-propylphenyl)thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopropyl-[5-(2-propylphenyl)thiophen-2-yl]methyl]ethanamine
PubChem CID63400483
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC NameN-[cyclopropyl-[5-(2-propylphenyl)thiophen-2-yl]methyl]ethanamine
SMILESCCCc1ccccc1-c1ccc(C(NCC)C2CC2)s1
InChIInChI=1S/C19H25NS/c1-3-7-14-8-5-6-9-16(14)17-12-13-18(21-17)19(20-4-2)15-10-11-15/h5-6,8-9,12-13,15,19-20H,3-4,7,10-11H2,1-2H3
InChIKeyISLWCWQMFQRTNW-UHFFFAOYSA-N
XLogP5.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.48
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-methyl-1-[5-(2-propylphenyl)thiophen-2-yl]methanamine
CID 63400602
N-[cyclopropyl-[5-(2-methylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43288356
N-[cyclopropyl-[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]ethanamine
CID 63401070
N-[[5-(4-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine
CID 81287372
N-[cyclopropyl-[5-(4-iodophenyl)thiophen-2-yl]methyl]ethanamine
CID 43288082
N-[[5-(2-bromo-3-chlorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine
CID 103481065
N-[cyclopropyl-[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]ethanamine
CID 43288281
N-[cyclopropyl-[5-(2,4-difluorophenyl)thiophen-2-yl]methyl]propan-1-amine
CID 43287494
N-[cyclopropyl-[5-(3-fluoro-4-methylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43287726
N-[[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine
CID 107577053
1-cyclopropyl-N-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]methanamine
CID 43287687
ethane;2-ethyl-5-(2-propylphenyl)thiophene
CID 164918955

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-[5-(2-propylphenyl)thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[cyclopropyl-[5-(2-propylphenyl)thiophen-2-yl]methyl]ethanamine (CID 63400483) is N-[cyclopropyl-[5-(2-propylphenyl)thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[cyclopropyl-[5-(2-propylphenyl)thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[cyclopropyl-[5-(2-propylphenyl)thiophen-2-yl]methyl]ethanamine is CCCc1ccccc1-c1ccc(C(NCC)C2CC2)s1.
What is the InChIKey of N-[cyclopropyl-[5-(2-propylphenyl)thiophen-2-yl]methyl]ethanamine?
The InChIKey is ISLWCWQMFQRTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-3-7-14-8-5-6-9-16(14)17-12-13-18(21-17)19(20-4-2)15-10-11-15/h5-6,8-9,12-13,15,19-20H,3-4,7,10-11H2,1-2H3.
What are the key properties of N-[cyclopropyl-[5-(2-propylphenyl)thiophen-2-yl]methyl]ethanamine?
N-[cyclopropyl-[5-(2-propylphenyl)thiophen-2-yl]methyl]ethanamine has a molecular weight of 299.48 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-[5-(2-propylphenyl)thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 63400483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).