(1R)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine

C18H18N2S — CID 81395728

IUPAC(1R)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
SMILESC[C@@H](NCc1ccc(-c2ccccc2)s1)c1ccncc1
InChIInChI=1S/C18H18N2S/c1-14(15-9-11-19-12-10-15)20-13-17-7-8-18(21-17)16-5-3-2-4-6-16/h2-12,14,20H,13H2,1H3/t14-/m1/s1
InChIKeyJHSVVHOMZCEULN-CQSZACIVSA-N
MW294.42 g/mol
LogP4.66
Rot. Bonds5

About (1R)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine

(1R)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 81395728) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is (1R)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
PubChem CID81395728
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name(1R)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
SMILESC[C@@H](NCc1ccc(-c2ccccc2)s1)c1ccncc1
InChIInChI=1S/C18H18N2S/c1-14(15-9-11-19-12-10-15)20-13-17-7-8-18(21-17)16-5-3-2-4-6-16/h2-12,14,20H,13H2,1H3/t14-/m1/s1
InChIKeyJHSVVHOMZCEULN-CQSZACIVSA-N
XLogP4.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 43222571
(1S)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 78951056
(1R)-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 28644855
N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43213873
1-phenyl-N-[[5-[(1-phenylethylamino)methyl]thiophen-2-yl]methyl]ethanamine
CID 78022429
N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 61019203
(1R)-N-[[5-(4-nitrophenyl)thiophen-2-yl]methyl]-1-phenylethanamine
CID 124690099
5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]thiophene-2-carboxylic acid
CID 103258908
2-methyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-3-amine
CID 55191795
3-ethyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-2-amine
CID 63843620
N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine
CID 4715520
3-[(5-phenylthiophen-2-yl)methylamino]butan-1-ol
CID 78998187

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of (1R)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine (CID 81395728) is (1R)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1R)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for (1R)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine is C[C@@H](NCc1ccc(-c2ccccc2)s1)c1ccncc1.
What is the InChIKey of (1R)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is JHSVVHOMZCEULN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18N2S/c1-14(15-9-11-19-12-10-15)20-13-17-7-8-18(21-17)16-5-3-2-4-6-16/h2-12,14,20H,13H2,1H3/t14-/m1/s1.
What are the key properties of (1R)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine?
(1R)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine has a molecular weight of 294.42 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 81395728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).