N-[(2-fluoro-3-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine

C15H18FNOS — CID 82808330

IUPACN-[(2-fluoro-3-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccsc1)c1cccc(OC)c1F
InChIInChI=1S/C15H18FNOS/c1-3-8-17-15(11-7-9-19-10-11)12-5-4-6-13(18-2)14(12)16/h4-7,9-10,15,17H,3,8H2,1-2H3
InChIKeyNJGIERXFCJFIDW-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.98
Rot. Bonds6

About N-[(2-fluoro-3-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine

N-[(2-fluoro-3-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine (PubChem CID 82808330) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[(2-fluoro-3-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-fluoro-3-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
PubChem CID82808330
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC NameN-[(2-fluoro-3-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccsc1)c1cccc(OC)c1F
InChIInChI=1S/C15H18FNOS/c1-3-8-17-15(11-7-9-19-10-11)12-5-4-6-13(18-2)14(12)16/h4-7,9-10,15,17H,3,8H2,1-2H3
InChIKeyNJGIERXFCJFIDW-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-[(2-fluoro-3-methoxyphenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 105025146
N-[(5-bromo-2-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 43493887
N-[(2-fluoro-3-methoxyphenyl)-(furan-3-yl)methyl]propan-1-amine
CID 82808232
N-[1-(2-fluoro-3-methoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105174794
N-[(2,4-dimethoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 43496041
N-[(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 106645250
N-[(3-methoxy-4-methylphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 104988346
N-[(2-fluoro-3-methoxyphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82808455
N-[(3-chloro-4-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 43494415
N-[(2-bromofuran-3-yl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 106858390
N-[(5-bromo-4-methylthiophen-2-yl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 105024816
N-[(3-chloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 103444855

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine?
The IUPAC name of N-[(2-fluoro-3-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine (CID 82808330) is N-[(2-fluoro-3-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2-fluoro-3-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(2-fluoro-3-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine is CCCNC(c1ccsc1)c1cccc(OC)c1F.
What is the InChIKey of N-[(2-fluoro-3-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine?
The InChIKey is NJGIERXFCJFIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-3-8-17-15(11-7-9-19-10-11)12-5-4-6-13(18-2)14(12)16/h4-7,9-10,15,17H,3,8H2,1-2H3.
What are the key properties of N-[(2-fluoro-3-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine?
N-[(2-fluoro-3-methoxyphenyl)-thiophen-3-ylmethyl]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-[(2-fluoro-3-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine is sourced from PubChem (CID 82808330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).