4-[[ethyl-[(4-fluorophenyl)methyl]amino]methyl]aniline

C16H19FN2 — CID 43458819

IUPAC4-[[ethyl-[(4-fluorophenyl)methyl]amino]methyl]aniline
SMILESCCN(Cc1ccc(N)cc1)Cc1ccc(F)cc1
InChIInChI=1S/C16H19FN2/c1-2-19(11-13-3-7-15(17)8-4-13)12-14-5-9-16(18)10-6-14/h3-10H,2,11-12,18H2,1H3
InChIKeyHOJQXLKSOOGFAQ-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.43
Rot. Bonds5

About 4-[[ethyl-[(4-fluorophenyl)methyl]amino]methyl]aniline

4-[[ethyl-[(4-fluorophenyl)methyl]amino]methyl]aniline (PubChem CID 43458819) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 4-[[ethyl-[(4-fluorophenyl)methyl]amino]methyl]aniline.

Molecular Properties

Compound Name4-[[ethyl-[(4-fluorophenyl)methyl]amino]methyl]aniline
PubChem CID43458819
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name4-[[ethyl-[(4-fluorophenyl)methyl]amino]methyl]aniline
SMILESCCN(Cc1ccc(N)cc1)Cc1ccc(F)cc1
InChIInChI=1S/C16H19FN2/c1-2-19(11-13-3-7-15(17)8-4-13)12-14-5-9-16(18)10-6-14/h3-10H,2,11-12,18H2,1H3
InChIKeyHOJQXLKSOOGFAQ-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]aniline
CID 43458882
2-chloro-N-ethyl-N-[(4-fluorophenyl)methyl]ethanamine
CID 63387186
4-[[(3-chloro-2-fluorophenyl)methyl-ethylamino]methyl]aniline
CID 102856212
4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]aniline
CID 43458817
4-[[decyl(ethyl)amino]methyl]aniline
CID 63532932
4-[[ethyl(octyl)amino]methyl]aniline
CID 43458886
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43458870
4-[3-[(4-fluorophenyl)methyl-methylamino]propyl]aniline
CID 115341840
3-[[(4-fluorophenyl)methyl-propylamino]methyl]aniline
CID 43459720
N-butyl-N-[(4-fluorophenyl)methyl]butan-1-amine
CID 6422133
2-[(4-aminophenyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 43458823
ethane;1-(4-fluorophenyl)-N,N-dimethylmethanamine
CID 163403663

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl-[(4-fluorophenyl)methyl]amino]methyl]aniline?
The IUPAC name of 4-[[ethyl-[(4-fluorophenyl)methyl]amino]methyl]aniline (CID 43458819) is 4-[[ethyl-[(4-fluorophenyl)methyl]amino]methyl]aniline.
What is the SMILES notation for 4-[[ethyl-[(4-fluorophenyl)methyl]amino]methyl]aniline?
The canonical SMILES for 4-[[ethyl-[(4-fluorophenyl)methyl]amino]methyl]aniline is CCN(Cc1ccc(N)cc1)Cc1ccc(F)cc1.
What is the InChIKey of 4-[[ethyl-[(4-fluorophenyl)methyl]amino]methyl]aniline?
The InChIKey is HOJQXLKSOOGFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-2-19(11-13-3-7-15(17)8-4-13)12-14-5-9-16(18)10-6-14/h3-10H,2,11-12,18H2,1H3.
What are the key properties of 4-[[ethyl-[(4-fluorophenyl)methyl]amino]methyl]aniline?
4-[[ethyl-[(4-fluorophenyl)methyl]amino]methyl]aniline has a molecular weight of 258.34 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl-[(4-fluorophenyl)methyl]amino]methyl]aniline is sourced from PubChem (CID 43458819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).