1-(2,5-dimethylthiophen-3-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine

C17H24N2OS — CID 61374587

IUPAC1-(2,5-dimethylthiophen-3-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
SMILESCc1cc(C(C)NCc2cccnc2OC(C)C)c(C)s1
InChIInChI=1S/C17H24N2OS/c1-11(2)20-17-15(7-6-8-18-17)10-19-13(4)16-9-12(3)21-14(16)5/h6-9,11,13,19H,10H2,1-5H3
InChIKeyIOFZJWPTUJIGLX-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.40
Rot. Bonds6

About 1-(2,5-dimethylthiophen-3-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine

1-(2,5-dimethylthiophen-3-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine (PubChem CID 61374587) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
PubChem CID61374587
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
SMILESCc1cc(C(C)NCc2cccnc2OC(C)C)c(C)s1
InChIInChI=1S/C17H24N2OS/c1-11(2)20-17-15(7-6-8-18-17)10-19-13(4)16-9-12(3)21-14(16)5/h6-9,11,13,19H,10H2,1-5H3
InChIKeyIOFZJWPTUJIGLX-UHFFFAOYSA-N
XLogP4.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dimethylthiophen-3-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine with MolForge

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 43098513
2-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]aniline
CID 66418816
1-(4-chlorophenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61372938
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]hex-5-en-2-amine
CID 104581823
4,5-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine
CID 65169702
3-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butan-2-amine
CID 115709816
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 62742368
(1S)-1-[4-[(S)-methylsulfinyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 97230181
1-(2,5-dimethylthiophen-3-yl)-N-[(1-methylbenzotriazol-4-yl)methyl]ethanamine
CID 166311221
5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine
CID 63208632
N-[(2,6-dichlorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 43432404

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine (CID 61374587) is 1-(2,5-dimethylthiophen-3-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine is Cc1cc(C(C)NCc2cccnc2OC(C)C)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is IOFZJWPTUJIGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-11(2)20-17-15(7-6-8-18-17)10-19-13(4)16-9-12(3)21-14(16)5/h6-9,11,13,19H,10H2,1-5H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine?
1-(2,5-dimethylthiophen-3-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine has a molecular weight of 304.46 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 61374587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).