N-[(4-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine

C15H18FNOS — CID 81127501

IUPACN-[(4-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1)c1sccc1OC
InChIInChI=1S/C15H18FNOS/c1-3-9-17-14(11-4-6-12(16)7-5-11)15-13(18-2)8-10-19-15/h4-8,10,14,17H,3,9H2,1-2H3
InChIKeyOAGNRCOPCCTHOX-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.98
Rot. Bonds6

About N-[(4-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine

N-[(4-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine (PubChem CID 81127501) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
PubChem CID81127501
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC NameN-[(4-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1)c1sccc1OC
InChIInChI=1S/C15H18FNOS/c1-3-9-17-14(11-4-6-12(16)7-5-11)15-13(18-2)8-10-19-15/h4-8,10,14,17H,3,9H2,1-2H3
InChIKeyOAGNRCOPCCTHOX-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-methylphenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 107130279
N-[(2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 115859772
N-[(4-fluoro-3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 81283095
N-[bis(4-fluorophenyl)methyl]propan-1-amine
CID 43389379
N-[(3-ethylthiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 79971418
N-[(3-chlorothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]propan-1-amine
CID 80645045
N-[(3-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 79985142
N-[(3-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 115792372
N-[(4-bromothiophen-3-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 105010612
N-[(3-ethylthiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]propan-1-amine
CID 79973511
N-[2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 81122712
N-[(4-chloro-3-methoxyphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 105007145

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine (CID 81127501) is N-[(4-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(F)cc1)c1sccc1OC.
What is the InChIKey of N-[(4-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine?
The InChIKey is OAGNRCOPCCTHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-3-9-17-14(11-4-6-12(16)7-5-11)15-13(18-2)8-10-19-15/h4-8,10,14,17H,3,9H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine?
N-[(4-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 81127501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).