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

C17H20ClFN2 — CID 61417200

IUPACN-[(2-chlorophenyl)methyl]-2-fluoro-N-methyl-4-[1-(methylamino)ethyl]aniline
SMILESCNC(C)c1ccc(N(C)Cc2ccccc2Cl)c(F)c1
InChIInChI=1S/C17H20ClFN2/c1-12(20-2)13-8-9-17(16(19)10-13)21(3)11-14-6-4-5-7-15(14)18/h4-10,12,20H,11H2,1-3H3
InChIKeyNROMJPVQWQTZBO-UHFFFAOYSA-N
MW306.81 g/mol
LogP4.40
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]-2-fluoro-N-methyl-4-[1-(methylamino)ethyl]aniline (PubChem CID 61417200) has the molecular formula C17H20ClFN2 and a molecular weight of 306.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-fluoro-N-methyl-4-[1-(methylamino)ethyl]aniline.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-fluoro-N-methyl-4-[1-(methylamino)ethyl]aniline
PubChem CID61417200
Molecular FormulaC17H20ClFN2
Molecular Weight306.81 g/mol
Exact Mass306.13
IUPAC NameN-[(2-chlorophenyl)methyl]-2-fluoro-N-methyl-4-[1-(methylamino)ethyl]aniline
SMILESCNC(C)c1ccc(N(C)Cc2ccccc2Cl)c(F)c1
InChIInChI=1S/C17H20ClFN2/c1-12(20-2)13-8-9-17(16(19)10-13)21(3)11-14-6-4-5-7-15(14)18/h4-10,12,20H,11H2,1-3H3
InChIKeyNROMJPVQWQTZBO-UHFFFAOYSA-N
XLogP4.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 54.40
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

2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline
CID 61411745
2-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 62909903
2-bromo-N-[(2-fluorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 62910220
2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline
CID 63864988
2-chloro-N-(2-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 62910475
2-bromo-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline
CID 63532074
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
1-[4-[(2-bromophenyl)methyl-methylamino]-3-fluorophenyl]ethanol
CID 61416049
(1S)-1-[3-bromo-4-[(2-chlorophenyl)methyl-methylamino]phenyl]ethanol
CID 78944634
2-[(1S)-1-aminoethyl]-N-[(2-chlorophenyl)methyl]-4-fluoro-N-methylaniline
CID 78934499
4-[(1S)-1-aminoethyl]-2-bromo-N-[(2-chlorophenyl)methyl]-N-methylaniline
CID 63532532

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-fluoro-N-methyl-4-[1-(methylamino)ethyl]aniline?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-fluoro-N-methyl-4-[1-(methylamino)ethyl]aniline (CID 61417200) is N-[(2-chlorophenyl)methyl]-2-fluoro-N-methyl-4-[1-(methylamino)ethyl]aniline.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-fluoro-N-methyl-4-[1-(methylamino)ethyl]aniline?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-fluoro-N-methyl-4-[1-(methylamino)ethyl]aniline is CNC(C)c1ccc(N(C)Cc2ccccc2Cl)c(F)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-fluoro-N-methyl-4-[1-(methylamino)ethyl]aniline?
The InChIKey is NROMJPVQWQTZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2/c1-12(20-2)13-8-9-17(16(19)10-13)21(3)11-14-6-4-5-7-15(14)18/h4-10,12,20H,11H2,1-3H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-fluoro-N-methyl-4-[1-(methylamino)ethyl]aniline?
N-[(2-chlorophenyl)methyl]-2-fluoro-N-methyl-4-[1-(methylamino)ethyl]aniline has a molecular weight of 306.81 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-fluoro-N-methyl-4-[1-(methylamino)ethyl]aniline is sourced from PubChem (CID 61417200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).