2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline

C18H23FN2 — CID 61411745

IUPAC2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline
SMILESCNC(C)c1ccc(N(C)Cc2ccccc2C)c(F)c1
InChIInChI=1S/C18H23FN2/c1-13-7-5-6-8-16(13)12-21(4)18-10-9-15(11-17(18)19)14(2)20-3/h5-11,14,20H,12H2,1-4H3
InChIKeyTVRYBVCZGXVIAO-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.05
Rot. Bonds5

About 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline

2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline (PubChem CID 61411745) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline
PubChem CID61411745
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline
SMILESCNC(C)c1ccc(N(C)Cc2ccccc2C)c(F)c1
InChIInChI=1S/C18H23FN2/c1-13-7-5-6-8-16(13)12-21(4)18-10-9-15(11-17(18)19)14(2)20-3/h5-11,14,20H,12H2,1-4H3
InChIKeyTVRYBVCZGXVIAO-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.05
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-[(2-chlorophenyl)methyl]-2-fluoro-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 61417200
2-bromo-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline
CID 63532074
4-fluoro-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline
CID 61411746
2-bromo-N-[(2-fluorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 62910220
2-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 62909903
2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline
CID 63864988
2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline
CID 43284213
2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 61442079
N-benzyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline
CID 43284102
1-[4-[(2-bromophenyl)methyl-methylamino]-3-fluorophenyl]ethanol
CID 61416049
4-fluoro-N-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]aniline
CID 61411466
(1R)-1-[3-fluoro-4-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanol
CID 63371058

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline?
The IUPAC name of 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline (CID 61411745) is 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline.
What is the SMILES notation for 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline?
The canonical SMILES for 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline is CNC(C)c1ccc(N(C)Cc2ccccc2C)c(F)c1.
What is the InChIKey of 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline?
The InChIKey is TVRYBVCZGXVIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-13-7-5-6-8-16(13)12-21(4)18-10-9-15(11-17(18)19)14(2)20-3/h5-11,14,20H,12H2,1-4H3.
What are the key properties of 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline?
2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline has a molecular weight of 286.39 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline is sourced from PubChem (CID 61411745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).