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

C18H31FN2 — CID 79480652

IUPACN-ethyl-2-fluoro-N-(2-methylbutyl)-4-[(2-methylpropylamino)methyl]aniline
SMILESCCC(C)CN(CC)c1ccc(CNCC(C)C)cc1F
InChIInChI=1S/C18H31FN2/c1-6-15(5)13-21(7-2)18-9-8-16(10-17(18)19)12-20-11-14(3)4/h8-10,14-15,20H,6-7,11-13H2,1-5H3
InChIKeyAMEHMVYXQCCKFD-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.44
Rot. Bonds9

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

N-ethyl-2-fluoro-N-(2-methylbutyl)-4-[(2-methylpropylamino)methyl]aniline (PubChem CID 79480652) has the molecular formula C18H31FN2 and a molecular weight of 294.46 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-(2-methylbutyl)-4-[(2-methylpropylamino)methyl]aniline.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-(2-methylbutyl)-4-[(2-methylpropylamino)methyl]aniline
PubChem CID79480652
Molecular FormulaC18H31FN2
Molecular Weight294.46 g/mol
Exact Mass294.25
IUPAC NameN-ethyl-2-fluoro-N-(2-methylbutyl)-4-[(2-methylpropylamino)methyl]aniline
SMILESCCC(C)CN(CC)c1ccc(CNCC(C)C)cc1F
InChIInChI=1S/C18H31FN2/c1-6-15(5)13-21(7-2)18-9-8-16(10-17(18)19)12-20-11-14(3)4/h8-10,14-15,20H,6-7,11-13H2,1-5H3
InChIKeyAMEHMVYXQCCKFD-UHFFFAOYSA-N
XLogP4.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.44
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

4-[(tert-butylamino)methyl]-N-ethyl-2-fluoro-N-(2-methylbutyl)aniline
CID 79481530
N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-(2-methylpropyl)aniline
CID 43281990
N-ethyl-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63060723
1-[[4-(diethylamino)-3-fluorophenyl]methylamino]propan-2-ol
CID 111440118
N,2-dimethyl-N-(2-methylbutyl)-4-[(2-methylpropylamino)methyl]aniline
CID 63551714
N-(cyclopropylmethyl)-2-fluoro-4-[(2-methylpropylamino)methyl]-N-propylaniline
CID 63550802
N-ethyl-N-(2-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline
CID 79481296
4-(bromomethyl)-N-ethyl-2-fluoro-N-(2-methylpropyl)aniline
CID 107080080
N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-propylaniline
CID 43281781
2-fluoro-N-methyl-N-(2-methylbutyl)-4-[(propan-2-ylamino)methyl]aniline
CID 43296099
N-[[3-(diethylaminomethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107453745
N-[[3-[[ethyl(2-methylpropyl)amino]methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107454147

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-N-(2-methylbutyl)-4-[(2-methylpropylamino)methyl]aniline?
The IUPAC name of N-ethyl-2-fluoro-N-(2-methylbutyl)-4-[(2-methylpropylamino)methyl]aniline (CID 79480652) is N-ethyl-2-fluoro-N-(2-methylbutyl)-4-[(2-methylpropylamino)methyl]aniline.
What is the SMILES notation for N-ethyl-2-fluoro-N-(2-methylbutyl)-4-[(2-methylpropylamino)methyl]aniline?
The canonical SMILES for N-ethyl-2-fluoro-N-(2-methylbutyl)-4-[(2-methylpropylamino)methyl]aniline is CCC(C)CN(CC)c1ccc(CNCC(C)C)cc1F.
What is the InChIKey of N-ethyl-2-fluoro-N-(2-methylbutyl)-4-[(2-methylpropylamino)methyl]aniline?
The InChIKey is AMEHMVYXQCCKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN2/c1-6-15(5)13-21(7-2)18-9-8-16(10-17(18)19)12-20-11-14(3)4/h8-10,14-15,20H,6-7,11-13H2,1-5H3.
What are the key properties of N-ethyl-2-fluoro-N-(2-methylbutyl)-4-[(2-methylpropylamino)methyl]aniline?
N-ethyl-2-fluoro-N-(2-methylbutyl)-4-[(2-methylpropylamino)methyl]aniline has a molecular weight of 294.46 g/mol, XLogP of 4.44, 9 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-(2-methylbutyl)-4-[(2-methylpropylamino)methyl]aniline is sourced from PubChem (CID 79480652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).