N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-4-fluoro-N-methylaniline

C17H20ClFN2 — CID 61416913

IUPACN-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
SMILESCCNCc1cc(F)ccc1N(C)Cc1ccccc1Cl
InChIInChI=1S/C17H20ClFN2/c1-3-20-11-14-10-15(19)8-9-17(14)21(2)12-13-6-4-5-7-16(13)18/h4-10,20H,3,11-12H2,1-2H3
InChIKeyQDRWRUPPGNGFBO-UHFFFAOYSA-N
MW306.81 g/mol
LogP4.22
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-4-fluoro-N-methylaniline

N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-4-fluoro-N-methylaniline (PubChem CID 61416913) has the molecular formula C17H20ClFN2 and a molecular weight of 306.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-4-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
PubChem CID61416913
Molecular FormulaC17H20ClFN2
Molecular Weight306.81 g/mol
Exact Mass306.13
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
SMILESCCNCc1cc(F)ccc1N(C)Cc1ccccc1Cl
InChIInChI=1S/C17H20ClFN2/c1-3-20-11-14-10-15(19)8-9-17(14)21(2)12-13-6-4-5-7-16(13)18/h4-10,20H,3,11-12H2,1-2H3
InChIKeyQDRWRUPPGNGFBO-UHFFFAOYSA-N
XLogP4.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-4-fluoro-N-methylaniline?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-4-fluoro-N-methylaniline (CID 61416913) is N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-4-fluoro-N-methylaniline.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-4-fluoro-N-methylaniline?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-4-fluoro-N-methylaniline is CCNCc1cc(F)ccc1N(C)Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-4-fluoro-N-methylaniline?
The InChIKey is QDRWRUPPGNGFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2/c1-3-20-11-14-10-15(19)8-9-17(14)21(2)12-13-6-4-5-7-16(13)18/h4-10,20H,3,11-12H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-4-fluoro-N-methylaniline?
N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-4-fluoro-N-methylaniline has a molecular weight of 306.81 g/mol, XLogP of 4.22, 6 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-(ethylaminomethyl)-4-fluoro-N-methylaniline is sourced from PubChem (CID 61416913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).