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

C16H27FN2 — CID 43296099

IUPAC2-fluoro-N-methyl-N-(2-methylbutyl)-4-[(propan-2-ylamino)methyl]aniline
SMILESCCC(C)CN(C)c1ccc(CNC(C)C)cc1F
InChIInChI=1S/C16H27FN2/c1-6-13(4)11-19(5)16-8-7-14(9-15(16)17)10-18-12(2)3/h7-9,12-13,18H,6,10-11H2,1-5H3
InChIKeyJYRSCKZTHPZFGI-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.81
Rot. Bonds7

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

2-fluoro-N-methyl-N-(2-methylbutyl)-4-[(propan-2-ylamino)methyl]aniline (PubChem CID 43296099) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-(2-methylbutyl)-4-[(propan-2-ylamino)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-(2-methylbutyl)-4-[(propan-2-ylamino)methyl]aniline
PubChem CID43296099
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Name2-fluoro-N-methyl-N-(2-methylbutyl)-4-[(propan-2-ylamino)methyl]aniline
SMILESCCC(C)CN(C)c1ccc(CNC(C)C)cc1F
InChIInChI=1S/C16H27FN2/c1-6-13(4)11-19(5)16-8-7-14(9-15(16)17)10-18-12(2)3/h7-9,12-13,18H,6,10-11H2,1-5H3
InChIKeyJYRSCKZTHPZFGI-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 2-fluoro-N-methyl-N-(2-methylbutyl)-4-[(propan-2-ylamino)methyl]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

2-[2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]anilino]-N,N-dimethylacetamide
CID 43375206
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-1-amine
CID 107454209
N-cyclopentyl-2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline
CID 43281747
2-fluoro-N-methyl-N-(2-methylbutyl)-4-[1-(propylamino)ethyl]aniline
CID 43295957
3-[2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]anilino]-N-methylpropanamide
CID 106916716
2-fluoro-N,N-dimethyl-5-[(propan-2-ylamino)methyl]aniline
CID 84753813
2-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-[(propan-2-ylamino)methyl]aniline
CID 63838219
3-fluoro-4-[methyl(2-methylbutyl)amino]benzenecarbothioamide
CID 43657911
4-[(tert-butylamino)methyl]-N-ethyl-2-fluoro-N-(2-methylbutyl)aniline
CID 79481530
N-(cyclobutylmethyl)-N-ethyl-2-fluoro-4-[(propan-2-ylamino)methyl]aniline
CID 107399971
N-ethyl-2-fluoro-N-(2-methylbutyl)-4-[(2-methylpropylamino)methyl]aniline
CID 79480652
N-ethyl-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63060723

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-(2-methylbutyl)-4-[(propan-2-ylamino)methyl]aniline?
The IUPAC name of 2-fluoro-N-methyl-N-(2-methylbutyl)-4-[(propan-2-ylamino)methyl]aniline (CID 43296099) is 2-fluoro-N-methyl-N-(2-methylbutyl)-4-[(propan-2-ylamino)methyl]aniline.
What is the SMILES notation for 2-fluoro-N-methyl-N-(2-methylbutyl)-4-[(propan-2-ylamino)methyl]aniline?
The canonical SMILES for 2-fluoro-N-methyl-N-(2-methylbutyl)-4-[(propan-2-ylamino)methyl]aniline is CCC(C)CN(C)c1ccc(CNC(C)C)cc1F.
What is the InChIKey of 2-fluoro-N-methyl-N-(2-methylbutyl)-4-[(propan-2-ylamino)methyl]aniline?
The InChIKey is JYRSCKZTHPZFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-6-13(4)11-19(5)16-8-7-14(9-15(16)17)10-18-12(2)3/h7-9,12-13,18H,6,10-11H2,1-5H3.
What are the key properties of 2-fluoro-N-methyl-N-(2-methylbutyl)-4-[(propan-2-ylamino)methyl]aniline?
2-fluoro-N-methyl-N-(2-methylbutyl)-4-[(propan-2-ylamino)methyl]aniline has a molecular weight of 266.40 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-(2-methylbutyl)-4-[(propan-2-ylamino)methyl]aniline is sourced from PubChem (CID 43296099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).