2-[(2-fluorophenyl)methoxy]-N-(thiophen-2-ylmethyl)propan-1-amine

C15H18FNOS — CID 63937189

IUPAC2-[(2-fluorophenyl)methoxy]-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1cccs1)OCc1ccccc1F
InChIInChI=1S/C15H18FNOS/c1-12(9-17-10-14-6-4-8-19-14)18-11-13-5-2-3-7-15(13)16/h2-8,12,17H,9-11H2,1H3
InChIKeyHLKOGGQBXKUERQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.58
Rot. Bonds7

About 2-[(2-fluorophenyl)methoxy]-N-(thiophen-2-ylmethyl)propan-1-amine

2-[(2-fluorophenyl)methoxy]-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 63937189) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methoxy]-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methoxy]-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID63937189
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC Name2-[(2-fluorophenyl)methoxy]-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1cccs1)OCc1ccccc1F
InChIInChI=1S/C15H18FNOS/c1-12(9-17-10-14-6-4-8-19-14)18-11-13-5-2-3-7-15(13)16/h2-8,12,17H,9-11H2,1H3
InChIKeyHLKOGGQBXKUERQ-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62567464
2-(2,3-difluorophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 63038033
2-butoxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62585075
N-(thiophen-2-ylmethyl)-2-(4,4,4-trifluorobutoxy)propan-1-amine
CID 82793135
2-(3-phenylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62584061
2-(2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62572170
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337
2-(4-bromophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 55088459
2-(2,6-dimethylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 54798902
1-[(2-fluorophenyl)methoxy]-3-(2-thiophen-2-ylethylamino)propan-2-ol
CID 60897038
3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 61150339
2-(2,4-dichlorophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 54798982

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methoxy]-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-[(2-fluorophenyl)methoxy]-N-(thiophen-2-ylmethyl)propan-1-amine (CID 63937189) is 2-[(2-fluorophenyl)methoxy]-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-[(2-fluorophenyl)methoxy]-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-[(2-fluorophenyl)methoxy]-N-(thiophen-2-ylmethyl)propan-1-amine is CC(CNCc1cccs1)OCc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methoxy]-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is HLKOGGQBXKUERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-12(9-17-10-14-6-4-8-19-14)18-11-13-5-2-3-7-15(13)16/h2-8,12,17H,9-11H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methoxy]-N-(thiophen-2-ylmethyl)propan-1-amine?
2-[(2-fluorophenyl)methoxy]-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methoxy]-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 63937189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).