2-(2-aminobutyl)-4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline

C16H22FN3S — CID 63840153

IUPAC2-(2-aminobutyl)-4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCCC(N)Cc1cc(F)ccc1N(C)Cc1scnc1C
InChIInChI=1S/C16H22FN3S/c1-4-14(18)8-12-7-13(17)5-6-15(12)20(3)9-16-11(2)19-10-21-16/h5-7,10,14H,4,8-9,18H2,1-3H3
InChIKeyHXDQONXTEIFVMR-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.51
Rot. Bonds6

About 2-(2-aminobutyl)-4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline

2-(2-aminobutyl)-4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline (PubChem CID 63840153) has the molecular formula C16H22FN3S and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-(2-aminobutyl)-4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name2-(2-aminobutyl)-4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
PubChem CID63840153
Molecular FormulaC16H22FN3S
Molecular Weight307.44 g/mol
Exact Mass307.15
IUPAC Name2-(2-aminobutyl)-4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCCC(N)Cc1cc(F)ccc1N(C)Cc1scnc1C
InChIInChI=1S/C16H22FN3S/c1-4-14(18)8-12-7-13(17)5-6-15(12)20(3)9-16-11(2)19-10-21-16/h5-7,10,14H,4,8-9,18H2,1-3H3
InChIKeyHXDQONXTEIFVMR-UHFFFAOYSA-N
XLogP3.51
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(propylaminomethyl)aniline
CID 63837145
5-fluoro-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]benzonitrile
CID 63836383
5-(2-aminobutyl)-N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 80630719
4,5-difluoro-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,2-diamine
CID 112751823
[4-fluoro-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]methanamine
CID 64768539
2-(2-aminobutyl)-4-fluoro-N-methyl-N-pentan-2-ylaniline
CID 55235831
2-(2-aminobutyl)-N-ethyl-4-fluoro-N-phenylaniline
CID 63787438
4-fluoro-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]benzenecarbothioamide
CID 64763592
2-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-[(propan-2-ylamino)methyl]aniline
CID 63838219
4-(aminomethyl)-3-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 115366884
2-(2-aminobutyl)-4-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 114861092
1-(4-fluorophenyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 63843819

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline?
The IUPAC name of 2-(2-aminobutyl)-4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline (CID 63840153) is 2-(2-aminobutyl)-4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 2-(2-aminobutyl)-4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline?
The canonical SMILES for 2-(2-aminobutyl)-4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline is CCC(N)Cc1cc(F)ccc1N(C)Cc1scnc1C.
What is the InChIKey of 2-(2-aminobutyl)-4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline?
The InChIKey is HXDQONXTEIFVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3S/c1-4-14(18)8-12-7-13(17)5-6-15(12)20(3)9-16-11(2)19-10-21-16/h5-7,10,14H,4,8-9,18H2,1-3H3.
What are the key properties of 2-(2-aminobutyl)-4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline?
2-(2-aminobutyl)-4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline has a molecular weight of 307.44 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutyl)-4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 63840153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).