4-fluoro-N-methyl-N-(2-methylbutan-2-yl)-2-[1-(propylamino)ethyl]aniline

C17H29FN2 — CID 63982799

IUPAC4-fluoro-N-methyl-N-(2-methylbutan-2-yl)-2-[1-(propylamino)ethyl]aniline
SMILESCCCNC(C)c1cc(F)ccc1N(C)C(C)(C)CC
InChIInChI=1S/C17H29FN2/c1-7-11-19-13(3)15-12-14(18)9-10-16(15)20(6)17(4,5)8-2/h9-10,12-13,19H,7-8,11H2,1-6H3
InChIKeyPGVDESYEXDTCKW-UHFFFAOYSA-N
MW280.43 g/mol
LogP4.51
Rot. Bonds7

About 4-fluoro-N-methyl-N-(2-methylbutan-2-yl)-2-[1-(propylamino)ethyl]aniline

4-fluoro-N-methyl-N-(2-methylbutan-2-yl)-2-[1-(propylamino)ethyl]aniline (PubChem CID 63982799) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-(2-methylbutan-2-yl)-2-[1-(propylamino)ethyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-(2-methylbutan-2-yl)-2-[1-(propylamino)ethyl]aniline
PubChem CID63982799
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC Name4-fluoro-N-methyl-N-(2-methylbutan-2-yl)-2-[1-(propylamino)ethyl]aniline
SMILESCCCNC(C)c1cc(F)ccc1N(C)C(C)(C)CC
InChIInChI=1S/C17H29FN2/c1-7-11-19-13(3)15-12-14(18)9-10-16(15)20(6)17(4,5)8-2/h9-10,12-13,19H,7-8,11H2,1-6H3
InChIKeyPGVDESYEXDTCKW-UHFFFAOYSA-N
XLogP4.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-N-methyl-N-(2-methylbutan-2-yl)-2-[1-(propylamino)ethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 63966843
N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464
2-[N-ethyl-4-fluoro-2-[1-(propylamino)ethyl]anilino]ethanol
CID 54879809
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 82968175
4-fluoro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,2-diamine
CID 63981611
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581
[5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]methanol
CID 63964637
2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 43570195
4-bromo-N-ethyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 82971405
3-[[4-fluoro-2-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-ol
CID 114492212
N-[1-(4-fluoro-2-methoxyphenyl)ethyl]propan-1-amine
CID 63066757
N-[1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285523

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-(2-methylbutan-2-yl)-2-[1-(propylamino)ethyl]aniline?
The IUPAC name of 4-fluoro-N-methyl-N-(2-methylbutan-2-yl)-2-[1-(propylamino)ethyl]aniline (CID 63982799) is 4-fluoro-N-methyl-N-(2-methylbutan-2-yl)-2-[1-(propylamino)ethyl]aniline.
What is the SMILES notation for 4-fluoro-N-methyl-N-(2-methylbutan-2-yl)-2-[1-(propylamino)ethyl]aniline?
The canonical SMILES for 4-fluoro-N-methyl-N-(2-methylbutan-2-yl)-2-[1-(propylamino)ethyl]aniline is CCCNC(C)c1cc(F)ccc1N(C)C(C)(C)CC.
What is the InChIKey of 4-fluoro-N-methyl-N-(2-methylbutan-2-yl)-2-[1-(propylamino)ethyl]aniline?
The InChIKey is PGVDESYEXDTCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2/c1-7-11-19-13(3)15-12-14(18)9-10-16(15)20(6)17(4,5)8-2/h9-10,12-13,19H,7-8,11H2,1-6H3.
What are the key properties of 4-fluoro-N-methyl-N-(2-methylbutan-2-yl)-2-[1-(propylamino)ethyl]aniline?
4-fluoro-N-methyl-N-(2-methylbutan-2-yl)-2-[1-(propylamino)ethyl]aniline has a molecular weight of 280.43 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-(2-methylbutan-2-yl)-2-[1-(propylamino)ethyl]aniline is sourced from PubChem (CID 63982799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).