2-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline

C17H20ClFN2 — CID 62909903

IUPAC2-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
SMILESCNC(C)c1ccc(N(C)Cc2ccccc2F)c(Cl)c1
InChIInChI=1S/C17H20ClFN2/c1-12(20-2)13-8-9-17(15(18)10-13)21(3)11-14-6-4-5-7-16(14)19/h4-10,12,20H,11H2,1-3H3
InChIKeyPFJDNERKHRIXBR-UHFFFAOYSA-N
MW306.81 g/mol
LogP4.40
Rot. Bonds5

About 2-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline

2-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline (PubChem CID 62909903) has the molecular formula C17H20ClFN2 and a molecular weight of 306.81 g/mol. Its IUPAC name is 2-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
PubChem CID62909903
Molecular FormulaC17H20ClFN2
Molecular Weight306.81 g/mol
Exact Mass306.13
IUPAC Name2-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
SMILESCNC(C)c1ccc(N(C)Cc2ccccc2F)c(Cl)c1
InChIInChI=1S/C17H20ClFN2/c1-12(20-2)13-8-9-17(15(18)10-13)21(3)11-14-6-4-5-7-16(14)19/h4-10,12,20H,11H2,1-3H3
InChIKeyPFJDNERKHRIXBR-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

N-[(2-chlorophenyl)methyl]-2-fluoro-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 61417200
2-bromo-N-[(2-fluorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 62910220
2-chloro-N-(2-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 62910475
2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline
CID 61411745
2-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 63532231
2-chloro-N-methyl-4-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)aniline
CID 62909051
5-bromo-N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 82954421
1-[3-chloro-4-[(2-fluorophenyl)methyl-methylamino]phenyl]ethanone
CID 62909660
2-bromo-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline
CID 63532074
2-chloro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63015017
5-[(2-fluorophenyl)methyl-methylamino]-2-[1-(methylamino)ethyl]phenol
CID 79590474
4-(1-aminoethyl)-2-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline
CID 62910058

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline?
The IUPAC name of 2-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline (CID 62909903) is 2-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline.
What is the SMILES notation for 2-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline?
The canonical SMILES for 2-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline is CNC(C)c1ccc(N(C)Cc2ccccc2F)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline?
The InChIKey is PFJDNERKHRIXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2/c1-12(20-2)13-8-9-17(15(18)10-13)21(3)11-14-6-4-5-7-16(14)19/h4-10,12,20H,11H2,1-3H3.
What are the key properties of 2-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline?
2-chloro-N-[(2-fluorophenyl)methyl]-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 2-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline is sourced from PubChem (CID 62909903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).