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

C15H16FN — CID 57041855

IUPACN-[2-(4-fluorophenyl)ethyl]-3-methylaniline
SMILESCc1cccc(NCCc2ccc(F)cc2)c1
InChIInChI=1S/C15H16FN/c1-12-3-2-4-15(11-12)17-10-9-13-5-7-14(16)8-6-13/h2-8,11,17H,9-10H2,1H3
InChIKeyUSWQNLKDHJHDQL-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.79
Rot. Bonds4

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

N-[2-(4-fluorophenyl)ethyl]-3-methylaniline (PubChem CID 57041855) has the molecular formula C15H16FN and a molecular weight of 229.30 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3-methylaniline.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3-methylaniline
PubChem CID57041855
Molecular FormulaC15H16FN
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3-methylaniline
SMILESCc1cccc(NCCc2ccc(F)cc2)c1
InChIInChI=1S/C15H16FN/c1-12-3-2-4-15(11-12)17-10-9-13-5-7-14(16)8-6-13/h2-8,11,17H,9-10H2,1H3
InChIKeyUSWQNLKDHJHDQL-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline
CID 22960583
N-[2-(4-methoxyphenyl)ethyl]-3-methylaniline
CID 54763230
4-[2-(4-fluorophenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109214200
4-fluoro-N-[2-(3-methylphenyl)ethyl]aniline;trichlorophosphane
CID 90944409
5-N-[2-(4-fluorophenyl)ethyl]-3-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112953671
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108964178
6-[2-(4-fluorophenyl)ethylamino]-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109371899
6-[2-(4-fluorophenyl)ethylamino]-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109351026
3-chloro-N-[2-(3-methylphenyl)ethyl]aniline
CID 68835949
N-[4-(4-aminophenyl)butyl]-3-methylaniline
CID 94271013
N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62314975
3-methyl-N-[(4-propylphenyl)methyl]aniline
CID 94687555

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-methylaniline?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-methylaniline (CID 57041855) is N-[2-(4-fluorophenyl)ethyl]-3-methylaniline.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3-methylaniline?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-methylaniline is Cc1cccc(NCCc2ccc(F)cc2)c1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3-methylaniline?
The InChIKey is USWQNLKDHJHDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN/c1-12-3-2-4-15(11-12)17-10-9-13-5-7-14(16)8-6-13/h2-8,11,17H,9-10H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3-methylaniline?
N-[2-(4-fluorophenyl)ethyl]-3-methylaniline has a molecular weight of 229.30 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-3-methylaniline is sourced from PubChem (CID 57041855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).