N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(oxan-4-yl)ethanamine

C14H23NOS — CID 113258289

IUPACN-[(2,5-dimethylthiophen-3-yl)methyl]-1-(oxan-4-yl)ethanamine
SMILESCc1cc(CNC(C)C2CCOCC2)c(C)s1
InChIInChI=1S/C14H23NOS/c1-10-8-14(12(3)17-10)9-15-11(2)13-4-6-16-7-5-13/h8,11,13,15H,4-7,9H2,1-3H3
InChIKeySMSZXPNYDSZTKU-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.27
Rot. Bonds4

About N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(oxan-4-yl)ethanamine

N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(oxan-4-yl)ethanamine (PubChem CID 113258289) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylthiophen-3-yl)methyl]-1-(oxan-4-yl)ethanamine
PubChem CID113258289
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC NameN-[(2,5-dimethylthiophen-3-yl)methyl]-1-(oxan-4-yl)ethanamine
SMILESCc1cc(CNC(C)C2CCOCC2)c(C)s1
InChIInChI=1S/C14H23NOS/c1-10-8-14(12(3)17-10)9-15-11(2)13-4-6-16-7-5-13/h8,11,13,15H,4-7,9H2,1-3H3
InChIKeySMSZXPNYDSZTKU-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 114115104
N-[(5-fluoro-2-methylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103944162
N-[(2,4-dichlorophenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103768975
2-[(2,5-dimethylthiophen-3-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115663838
4-[(1-cyclohexylethylamino)methyl]-5-methylthiophene-2-carboxylic acid
CID 103249963
N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769004
N-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769025
4-methoxy-2-[[1-(oxan-4-yl)ethylamino]methyl]phenol
CID 103902332
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769043
1-(2,5-dimethylthiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386041
N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 115699095
1-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 103779552

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(oxan-4-yl)ethanamine?
The IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(oxan-4-yl)ethanamine (CID 113258289) is N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(oxan-4-yl)ethanamine?
The canonical SMILES for N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(oxan-4-yl)ethanamine is Cc1cc(CNC(C)C2CCOCC2)c(C)s1.
What is the InChIKey of N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(oxan-4-yl)ethanamine?
The InChIKey is SMSZXPNYDSZTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-10-8-14(12(3)17-10)9-15-11(2)13-4-6-16-7-5-13/h8,11,13,15H,4-7,9H2,1-3H3.
What are the key properties of N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(oxan-4-yl)ethanamine?
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(oxan-4-yl)ethanamine has a molecular weight of 253.41 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 113258289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).