N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine

C19H17F2NOS — CID 71890514

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine
SMILESCOc1ccc(CNCc2ccc(F)c(-c3cccs3)c2)cc1F
InChIInChI=1S/C19H17F2NOS/c1-23-18-7-5-14(10-17(18)21)12-22-11-13-4-6-16(20)15(9-13)19-3-2-8-24-19/h2-10,22H,11-12H2,1H3
InChIKeyUAUPVTVNJSGQAD-UHFFFAOYSA-N
MW345.41 g/mol
LogP4.99
Rot. Bonds6

About N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine

N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine (PubChem CID 71890514) has the molecular formula C19H17F2NOS and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine
PubChem CID71890514
Molecular FormulaC19H17F2NOS
Molecular Weight345.41 g/mol
Exact Mass345.10
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine
SMILESCOc1ccc(CNCc2ccc(F)c(-c3cccs3)c2)cc1F
InChIInChI=1S/C19H17F2NOS/c1-23-18-7-5-14(10-17(18)21)12-22-11-13-4-6-16(20)15(9-13)19-3-2-8-24-19/h2-10,22H,11-12H2,1H3
InChIKeyUAUPVTVNJSGQAD-UHFFFAOYSA-N
XLogP4.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 43242567
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656201
1-(4-fluoro-3-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 81284399
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 61104385
1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 61060963
N-ethoxy-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine
CID 82709130
ethyl 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]acetate
CID 61103810
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 61058996
2-ethylsulfinyl-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]ethanamine
CID 115627155
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylaniline
CID 63420445
methyl 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]-2-methylpropanoate
CID 61103428
4-chloro-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline
CID 63422472

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine (CID 71890514) is N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine is COc1ccc(CNCc2ccc(F)c(-c3cccs3)c2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine?
The InChIKey is UAUPVTVNJSGQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NOS/c1-23-18-7-5-14(10-17(18)21)12-22-11-13-4-6-16(20)15(9-13)19-3-2-8-24-19/h2-10,22H,11-12H2,1H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine?
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine has a molecular weight of 345.41 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine is sourced from PubChem (CID 71890514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).