N-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylthiophen-2-yl]methyl]propan-2-amine

C17H22FNOS — CID 80722894

IUPACN-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylthiophen-2-yl]methyl]propan-2-amine
SMILESCc1sc(CNC(C)C)cc1COCc1ccccc1F
InChIInChI=1S/C17H22FNOS/c1-12(2)19-9-16-8-15(13(3)21-16)11-20-10-14-6-4-5-7-17(14)18/h4-8,12,19H,9-11H2,1-3H3
InChIKeyYRSARHBPKLVINI-UHFFFAOYSA-N
MW307.43 g/mol
LogP4.41
Rot. Bonds7

About N-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylthiophen-2-yl]methyl]propan-2-amine

N-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylthiophen-2-yl]methyl]propan-2-amine (PubChem CID 80722894) has the molecular formula C17H22FNOS and a molecular weight of 307.43 g/mol. Its IUPAC name is N-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylthiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylthiophen-2-yl]methyl]propan-2-amine
PubChem CID80722894
Molecular FormulaC17H22FNOS
Molecular Weight307.43 g/mol
Exact Mass307.14
IUPAC NameN-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylthiophen-2-yl]methyl]propan-2-amine
SMILESCc1sc(CNC(C)C)cc1COCc1ccccc1F
InChIInChI=1S/C17H22FNOS/c1-12(2)19-9-16-8-15(13(3)21-16)11-20-10-14-6-4-5-7-17(14)18/h4-8,12,19H,9-11H2,1-3H3
InChIKeyYRSARHBPKLVINI-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-methyl-4-(2-pyridin-2-ylethoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 80720105
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
N-[[5-methyl-4-[(1-methylpiperidin-2-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine
CID 80722127
N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine
CID 59237373
N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]propan-2-amine
CID 80727269
N-[[5-methyl-4-[(1-methylpiperidin-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine
CID 80728551
N-[[4-[(2-chlorophenyl)methoxymethyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80720787
N-[[2-[(2-fluorophenyl)methoxy]-4-pyridinyl]methyl]propan-2-amine
CID 63937965
N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]-N-propylpropan-1-amine
CID 80728012
1-[5-[(2-fluorophenyl)methoxymethyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 63937390
N-methyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]cyclohexanamine
CID 80727932
N-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 63934953

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylthiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylthiophen-2-yl]methyl]propan-2-amine (CID 80722894) is N-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylthiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylthiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylthiophen-2-yl]methyl]propan-2-amine is Cc1sc(CNC(C)C)cc1COCc1ccccc1F.
What is the InChIKey of N-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylthiophen-2-yl]methyl]propan-2-amine?
The InChIKey is YRSARHBPKLVINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNOS/c1-12(2)19-9-16-8-15(13(3)21-16)11-20-10-14-6-4-5-7-17(14)18/h4-8,12,19H,9-11H2,1-3H3.
What are the key properties of N-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylthiophen-2-yl]methyl]propan-2-amine?
N-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylthiophen-2-yl]methyl]propan-2-amine has a molecular weight of 307.43 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylthiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 80722894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).