1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine

C14H20FNOS — CID 82769071

IUPAC1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine
SMILESCNC(c1cc(F)ccc1OC)C1CCCCS1
InChIInChI=1S/C14H20FNOS/c1-16-14(13-5-3-4-8-18-13)11-9-10(15)6-7-12(11)17-2/h6-7,9,13-14,16H,3-5,8H2,1-2H3
InChIKeyFWJWDADDTKCIDS-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.38
Rot. Bonds4

About 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine

1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine (PubChem CID 82769071) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine
PubChem CID82769071
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine
SMILESCNC(c1cc(F)ccc1OC)C1CCCCS1
InChIInChI=1S/C14H20FNOS/c1-16-14(13-5-3-4-8-18-13)11-9-10(15)6-7-12(11)17-2/h6-7,9,13-14,16H,3-5,8H2,1-2H3
InChIKeyFWJWDADDTKCIDS-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine
CID 80626263
N-[(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methyl]propan-1-amine
CID 82768915
(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methanol
CID 82769769
1-(2,2-dimethylcyclohexyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 107177273
N-[(5-chloro-2-methoxyphenyl)-(thian-2-yl)methyl]ethanamine
CID 80626589
[(5-fluoro-2-methylphenyl)-(thian-2-yl)methyl]hydrazine
CID 105255690
4-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclohexan-1-one
CID 116957071
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63012561
N-[(2-methoxy-5-methylphenyl)-(thian-2-yl)methyl]propan-1-amine
CID 80626306
N-[(2,5-dimethoxyphenyl)-(thian-2-yl)methyl]propan-1-amine
CID 80627902
N-[(2,5-difluorophenyl)-(thian-2-yl)methyl]ethanamine
CID 80626288
[(2-fluoro-3-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255403

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine (CID 82769071) is 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine is CNC(c1cc(F)ccc1OC)C1CCCCS1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine?
The InChIKey is FWJWDADDTKCIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-16-14(13-5-3-4-8-18-13)11-9-10(15)6-7-12(11)17-2/h6-7,9,13-14,16H,3-5,8H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine?
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine has a molecular weight of 269.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine is sourced from PubChem (CID 82769071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).