4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-methylaniline

C16H19FN2 — CID 117041691

IUPAC4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-methylaniline
SMILESCN(CCc1cccc(F)c1)c1ccc(CN)cc1
InChIInChI=1S/C16H19FN2/c1-19(16-7-5-14(12-18)6-8-16)10-9-13-3-2-4-15(17)11-13/h2-8,11H,9-10,12,18H2,1H3
InChIKeyBXLZRQBEYIQDFI-UHFFFAOYSA-N
MW258.34 g/mol
LogP2.96
Rot. Bonds5

About 4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-methylaniline

4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-methylaniline (PubChem CID 117041691) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-methylaniline
PubChem CID117041691
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-methylaniline
SMILESCN(CCc1cccc(F)c1)c1ccc(CN)cc1
InChIInChI=1S/C16H19FN2/c1-19(16-7-5-14(12-18)6-8-16)10-9-13-3-2-4-15(17)11-13/h2-8,11H,9-10,12,18H2,1H3
InChIKeyBXLZRQBEYIQDFI-UHFFFAOYSA-N
XLogP2.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-fluorophenyl)ethyl]-1-methylhydrazine
CID 105433799
N'-[2-(3-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine
CID 115198892
4-N-methyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine
CID 117041336
4-(chloromethyl)-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 28946499
1-[2-(3-fluorophenyl)ethyl]-1-methylurea
CID 115168709
4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propylbenzamide
CID 119325474
3-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 62969270
4-(2-aminoethyl)-N-[(3-fluorophenyl)methyl]-N,3-dimethylaniline
CID 63784239
4-(aminomethyl)-3-chloro-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 62945834
3-[2-(3-fluorophenyl)ethyl-methylamino]propan-1-ol
CID 115217213
N-[4-(2-aminoethyl)phenyl]-3-fluoro-N-methylaniline
CID 63786695
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-(3-methylphenyl)ethanamine
CID 115213284

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-methylaniline (CID 117041691) is 4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-methylaniline is CN(CCc1cccc(F)c1)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-methylaniline?
The InChIKey is BXLZRQBEYIQDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-19(16-7-5-14(12-18)6-8-16)10-9-13-3-2-4-15(17)11-13/h2-8,11H,9-10,12,18H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-methylaniline?
4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-methylaniline has a molecular weight of 258.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-methylaniline is sourced from PubChem (CID 117041691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).