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

C17H20ClFN2 — CID 61414703

IUPACN-[(4-chlorophenyl)methyl]-4-(ethylaminomethyl)-2-fluoro-N-methylaniline
SMILESCCNCc1ccc(N(C)Cc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C17H20ClFN2/c1-3-20-11-14-6-9-17(16(19)10-14)21(2)12-13-4-7-15(18)8-5-13/h4-10,20H,3,11-12H2,1-2H3
InChIKeySUVFGDIUJGKHJW-UHFFFAOYSA-N
MW306.81 g/mol
LogP4.22
Rot. Bonds6

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

N-[(4-chlorophenyl)methyl]-4-(ethylaminomethyl)-2-fluoro-N-methylaniline (PubChem CID 61414703) has the molecular formula C17H20ClFN2 and a molecular weight of 306.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(ethylaminomethyl)-2-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(ethylaminomethyl)-2-fluoro-N-methylaniline
PubChem CID61414703
Molecular FormulaC17H20ClFN2
Molecular Weight306.81 g/mol
Exact Mass306.13
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(ethylaminomethyl)-2-fluoro-N-methylaniline
SMILESCCNCc1ccc(N(C)Cc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C17H20ClFN2/c1-3-20-11-14-6-9-17(16(19)10-14)21(2)12-13-4-7-15(18)8-5-13/h4-10,20H,3,11-12H2,1-2H3
InChIKeySUVFGDIUJGKHJW-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 43528450
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-(cyclobutylmethyl)-4-(ethylaminomethyl)-2-fluoro-N-methylaniline
CID 62860466
N-benzyl-N-ethyl-4-(ethylaminomethyl)-2-fluoroaniline
CID 43281516
5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 114847739
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918
4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 63964432
N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-propylaniline
CID 43281781
[4-[(3-chlorophenyl)methyl-methylamino]-3-fluorophenyl]methanol
CID 61417217
2-[2-fluoro-N-methyl-4-(propylaminomethyl)anilino]ethanol
CID 54879383
4-[[4-(ethylaminomethyl)-2-fluoro-N-methylanilino]methyl]oxan-4-ol
CID 114950674
N-ethyl-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63060723

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(ethylaminomethyl)-2-fluoro-N-methylaniline?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(ethylaminomethyl)-2-fluoro-N-methylaniline (CID 61414703) is N-[(4-chlorophenyl)methyl]-4-(ethylaminomethyl)-2-fluoro-N-methylaniline.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(ethylaminomethyl)-2-fluoro-N-methylaniline?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(ethylaminomethyl)-2-fluoro-N-methylaniline is CCNCc1ccc(N(C)Cc2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(ethylaminomethyl)-2-fluoro-N-methylaniline?
The InChIKey is SUVFGDIUJGKHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2/c1-3-20-11-14-6-9-17(16(19)10-14)21(2)12-13-4-7-15(18)8-5-13/h4-10,20H,3,11-12H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(ethylaminomethyl)-2-fluoro-N-methylaniline?
N-[(4-chlorophenyl)methyl]-4-(ethylaminomethyl)-2-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-[(4-chlorophenyl)methyl]-4-(ethylaminomethyl)-2-fluoro-N-methylaniline is sourced from PubChem (CID 61414703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).