4-(2-aminobutyl)-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline

C16H21FN2S — CID 63785488

IUPAC4-(2-aminobutyl)-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline
SMILESCCC(N)Cc1ccc(N(C)Cc2ccsc2)c(F)c1
InChIInChI=1S/C16H21FN2S/c1-3-14(18)8-12-4-5-16(15(17)9-12)19(2)10-13-6-7-20-11-13/h4-7,9,11,14H,3,8,10,18H2,1-2H3
InChIKeyHNEKOAYGRANHDH-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.80
Rot. Bonds6

About 4-(2-aminobutyl)-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline

4-(2-aminobutyl)-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline (PubChem CID 63785488) has the molecular formula C16H21FN2S and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-(2-aminobutyl)-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-(2-aminobutyl)-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline
PubChem CID63785488
Molecular FormulaC16H21FN2S
Molecular Weight292.42 g/mol
Exact Mass292.14
IUPAC Name4-(2-aminobutyl)-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline
SMILESCCC(N)Cc1ccc(N(C)Cc2ccsc2)c(F)c1
InChIInChI=1S/C16H21FN2S/c1-3-14(18)8-12-4-5-16(15(17)9-12)19(2)10-13-6-7-20-11-13/h4-7,9,11,14H,3,8,10,18H2,1-2H3
InChIKeyHNEKOAYGRANHDH-UHFFFAOYSA-N
XLogP3.80
TPSA29.26 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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminobutyl)-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 55236410
4-[(1R)-1-aminoethyl]-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 63368274
4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 43528450
5-(2-aminobutyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 80633966
4-(2-aminobutyl)-2-fluoro-N-methyl-N-pentylaniline
CID 63785639
4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63793316
2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 55189238
4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 78934602
4-(2-aminopropyl)-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 63817189
4-(2-aminobutyl)-N-(1-cyclopropylethyl)-2-fluoro-N-methylaniline
CID 63787146
2-fluoro-5-methoxy-1-N-methyl-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine
CID 107258801
2-(difluoromethyl)-1-N-methyl-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine
CID 55229461

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline?
The IUPAC name of 4-(2-aminobutyl)-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline (CID 63785488) is 4-(2-aminobutyl)-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline.
What is the SMILES notation for 4-(2-aminobutyl)-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline?
The canonical SMILES for 4-(2-aminobutyl)-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline is CCC(N)Cc1ccc(N(C)Cc2ccsc2)c(F)c1.
What is the InChIKey of 4-(2-aminobutyl)-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline?
The InChIKey is HNEKOAYGRANHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2S/c1-3-14(18)8-12-4-5-16(15(17)9-12)19(2)10-13-6-7-20-11-13/h4-7,9,11,14H,3,8,10,18H2,1-2H3.
What are the key properties of 4-(2-aminobutyl)-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline?
4-(2-aminobutyl)-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline has a molecular weight of 292.42 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline is sourced from PubChem (CID 63785488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).