(1S)-N-[(2-ethoxy-4-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine

C15H20N2OS — CID 97230120

IUPAC(1S)-N-[(2-ethoxy-4-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
SMILESCCOc1cc(CN[C@@H](C)c2sccc2C)ccn1
InChIInChI=1S/C15H20N2OS/c1-4-18-14-9-13(5-7-16-14)10-17-12(3)15-11(2)6-8-19-15/h5-9,12,17H,4,10H2,1-3H3/t12-/m0/s1
InChIKeyJHNZYCWMJRDGGL-LBPRGKRZSA-N
MW276.41 g/mol
LogP3.70
Rot. Bonds6

About (1S)-N-[(2-ethoxy-4-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine

(1S)-N-[(2-ethoxy-4-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 97230120) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is (1S)-N-[(2-ethoxy-4-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(2-ethoxy-4-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID97230120
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name(1S)-N-[(2-ethoxy-4-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
SMILESCCOc1cc(CN[C@@H](C)c2sccc2C)ccn1
InChIInChI=1S/C15H20N2OS/c1-4-18-14-9-13(5-7-16-14)10-17-12(3)15-11(2)6-8-19-15/h5-9,12,17H,4,10H2,1-3H3/t12-/m0/s1
InChIKeyJHNZYCWMJRDGGL-LBPRGKRZSA-N
XLogP3.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-3-ylmethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 115711445
N-[(3-methyl-2-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 63992103
1-(4-ethoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 62990560
N-[(4-methyl-3-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 114955136
(1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 95310705
(3R)-3-[(2-ethoxy-4-pyridinyl)methylamino]-N-(2-methylphenyl)butanamide
CID 97230115
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 106369709
1-(3-methylthiophen-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895134
N-ethoxy-1-(3-methylthiophen-2-yl)ethanamine
CID 82709754
1-(2-methoxy-5-methylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 62992014
N-[(3-ethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63612191
N-[(2-pentoxy-4-pyridinyl)methyl]propan-2-amine
CID 55058687

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2-ethoxy-4-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of (1S)-N-[(2-ethoxy-4-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine (CID 97230120) is (1S)-N-[(2-ethoxy-4-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for (1S)-N-[(2-ethoxy-4-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for (1S)-N-[(2-ethoxy-4-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine is CCOc1cc(CN[C@@H](C)c2sccc2C)ccn1.
What is the InChIKey of (1S)-N-[(2-ethoxy-4-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is JHNZYCWMJRDGGL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-4-18-14-9-13(5-7-16-14)10-17-12(3)15-11(2)6-8-19-15/h5-9,12,17H,4,10H2,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-N-[(2-ethoxy-4-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine?
(1S)-N-[(2-ethoxy-4-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 276.41 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-ethoxy-4-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 97230120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).