N-ethyl-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline

C14H23FN2 — CID 63060723

IUPACN-ethyl-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
SMILESCCN(C)c1ccc(CNCC(C)C)cc1F
InChIInChI=1S/C14H23FN2/c1-5-17(4)14-7-6-12(8-13(14)15)10-16-9-11(2)3/h6-8,11,16H,5,9-10H2,1-4H3
InChIKeyHDAKIOGUEMOPBA-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.03
Rot. Bonds6

About N-ethyl-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline

N-ethyl-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline (PubChem CID 63060723) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
PubChem CID63060723
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC NameN-ethyl-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
SMILESCCN(C)c1ccc(CNCC(C)C)cc1F
InChIInChI=1S/C14H23FN2/c1-5-17(4)14-7-6-12(8-13(14)15)10-16-9-11(2)3/h6-8,11,16H,5,9-10H2,1-4H3
InChIKeyHDAKIOGUEMOPBA-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclobutylmethyl)-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63071120
2-[2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]anilino]acetamide
CID 63058426
N-ethyl-2-fluoro-N-(2-methylbutyl)-4-[(2-methylpropylamino)methyl]aniline
CID 79480652
2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)aniline
CID 63059851
N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63060724
2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63072263
N-(cyclopropylmethyl)-2-fluoro-4-[(2-methylpropylamino)methyl]-N-propylaniline
CID 63550802
1-[[4-(diethylamino)-3-fluorophenyl]methylamino]propan-2-ol
CID 111440118
N-[[3-(diethylaminomethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107453745
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 103880565
N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-(2-methylpropyl)aniline
CID 43281990
N-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylbutan-2-amine
CID 107454052

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline?
The IUPAC name of N-ethyl-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline (CID 63060723) is N-ethyl-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline.
What is the SMILES notation for N-ethyl-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline?
The canonical SMILES for N-ethyl-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline is CCN(C)c1ccc(CNCC(C)C)cc1F.
What is the InChIKey of N-ethyl-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline?
The InChIKey is HDAKIOGUEMOPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-5-17(4)14-7-6-12(8-13(14)15)10-16-9-11(2)3/h6-8,11,16H,5,9-10H2,1-4H3.
What are the key properties of N-ethyl-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline?
N-ethyl-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline has a molecular weight of 238.35 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline is sourced from PubChem (CID 63060723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).