N-[(5-phenylthiophen-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine

C18H19NS2 — CID 63453731

IUPACN-[(5-phenylthiophen-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NCc1ccc(-c2ccccc2)s1
InChIInChI=1S/C18H19NS2/c1-14(11-15-9-10-20-13-15)19-12-17-7-8-18(21-17)16-5-3-2-4-6-16/h2-10,13-14,19H,11-12H2,1H3
InChIKeyKQXCTMACSSKGEX-UHFFFAOYSA-N
MW313.49 g/mol
LogP5.20
Rot. Bonds6

About N-[(5-phenylthiophen-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine

N-[(5-phenylthiophen-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine (PubChem CID 63453731) has the molecular formula C18H19NS2 and a molecular weight of 313.49 g/mol. Its IUPAC name is N-[(5-phenylthiophen-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-phenylthiophen-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
PubChem CID63453731
Molecular FormulaC18H19NS2
Molecular Weight313.49 g/mol
Exact Mass313.10
IUPAC NameN-[(5-phenylthiophen-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NCc1ccc(-c2ccccc2)s1
InChIInChI=1S/C18H19NS2/c1-14(11-15-9-10-20-13-15)19-12-17-7-8-18(21-17)16-5-3-2-4-6-16/h2-10,13-14,19H,11-12H2,1H3
InChIKeyKQXCTMACSSKGEX-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.49
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43213873
5-[(1-thiophen-3-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675695
1-thiophen-3-yl-N-(thiophen-2-ylmethyl)propan-2-amine
CID 61222092
3-[(5-phenylthiophen-2-yl)methylamino]butan-1-ol
CID 78998187
1-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 43222571
N-[(5-phenylthiophen-2-yl)methyl]octan-2-amine
CID 43223060
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61224120
2-methyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-3-amine
CID 55191795
1-methoxy-3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butan-2-amine
CID 65047475
N-[(5-methylthiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63012085
3-ethyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-2-amine
CID 63843620
N-[(3-chlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61222821

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenylthiophen-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-[(5-phenylthiophen-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine (CID 63453731) is N-[(5-phenylthiophen-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-[(5-phenylthiophen-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-[(5-phenylthiophen-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine is CC(Cc1ccsc1)NCc1ccc(-c2ccccc2)s1.
What is the InChIKey of N-[(5-phenylthiophen-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine?
The InChIKey is KQXCTMACSSKGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NS2/c1-14(11-15-9-10-20-13-15)19-12-17-7-8-18(21-17)16-5-3-2-4-6-16/h2-10,13-14,19H,11-12H2,1H3.
What are the key properties of N-[(5-phenylthiophen-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine?
N-[(5-phenylthiophen-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine has a molecular weight of 313.49 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenylthiophen-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 63453731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).