4-fluoro-N-methyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)aniline

C16H21FN2S — CID 43527749

IUPAC4-fluoro-N-methyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)aniline
SMILESCC(C)NCc1cc(F)ccc1N(C)Cc1cccs1
InChIInChI=1S/C16H21FN2S/c1-12(2)18-10-13-9-14(17)6-7-16(13)19(3)11-15-5-4-8-20-15/h4-9,12,18H,10-11H2,1-3H3
InChIKeyQDIYCAMBYALLAA-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.02
Rot. Bonds6

About 4-fluoro-N-methyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)aniline

4-fluoro-N-methyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)aniline (PubChem CID 43527749) has the molecular formula C16H21FN2S and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-fluoro-N-methyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)aniline
PubChem CID43527749
Molecular FormulaC16H21FN2S
Molecular Weight292.42 g/mol
Exact Mass292.14
IUPAC Name4-fluoro-N-methyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)aniline
SMILESCC(C)NCc1cc(F)ccc1N(C)Cc1cccs1
InChIInChI=1S/C16H21FN2S/c1-12(2)18-10-13-9-14(17)6-7-16(13)19(3)11-15-5-4-8-20-15/h4-9,12,18H,10-11H2,1-3H3
InChIKeyQDIYCAMBYALLAA-UHFFFAOYSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)aniline
CID 63059851
2-(ethylaminomethyl)-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)aniline
CID 79488908
N-ethyl-2-(ethylaminomethyl)-4-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 61437397
N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-N-methyl-2-(methylaminomethyl)aniline
CID 54984895
5-bromo-N-methyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)aniline
CID 63552450
5-bromo-N-ethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62288093
4-(chloromethyl)-2-fluoro-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 43527733
2-(aminomethyl)-4-bromo-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 114889468
N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-N-methyl-2-(propylaminomethyl)aniline
CID 63552121
2-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 43527788
(1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 105371284
N-benzyl-4-fluoro-N-methyl-2-(methylaminomethyl)aniline
CID 43313736

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 4-fluoro-N-methyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)aniline (CID 43527749) is 4-fluoro-N-methyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 4-fluoro-N-methyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 4-fluoro-N-methyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)aniline is CC(C)NCc1cc(F)ccc1N(C)Cc1cccs1.
What is the InChIKey of 4-fluoro-N-methyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is QDIYCAMBYALLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2S/c1-12(2)18-10-13-9-14(17)6-7-16(13)19(3)11-15-5-4-8-20-15/h4-9,12,18H,10-11H2,1-3H3.
What are the key properties of 4-fluoro-N-methyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)aniline?
4-fluoro-N-methyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 292.42 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 43527749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).