N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-fluoro-N-methylaniline

C18H23FN2 — CID 105347406

IUPACN-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-fluoro-N-methylaniline
SMILESCCNCCc1ccc(CN(C)c2ccccc2F)cc1
InChIInChI=1S/C18H23FN2/c1-3-20-13-12-15-8-10-16(11-9-15)14-21(2)18-7-5-4-6-17(18)19/h4-11,20H,3,12-14H2,1-2H3
InChIKeyQDEWJRLTIBJFAH-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.61
Rot. Bonds7

About N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-fluoro-N-methylaniline

N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-fluoro-N-methylaniline (PubChem CID 105347406) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-fluoro-N-methylaniline
PubChem CID105347406
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC NameN-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-fluoro-N-methylaniline
SMILESCCNCCc1ccc(CN(C)c2ccccc2F)cc1
InChIInChI=1S/C18H23FN2/c1-3-20-13-12-15-8-10-16(11-9-15)14-21(2)18-7-5-4-6-17(18)19/h4-11,20H,3,12-14H2,1-2H3
InChIKeyQDEWJRLTIBJFAH-UHFFFAOYSA-N
XLogP3.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylaniline
CID 105347402
2-fluoro-N-methyl-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]aniline
CID 62434557
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylaniline
CID 105347348
5-[(2-fluoro-N-methylanilino)methyl]-N-propylpyridin-2-amine
CID 62209615
N-[[4-(ethylaminomethyl)phenyl]methyl]-N,2-dimethylaniline
CID 62435259
N-[(4-chlorophenyl)methyl]-4-(ethylaminomethyl)-2-fluoro-N-methylaniline
CID 61414703
N-ethyl-2-[4-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]ethanamine
CID 105347063
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346574
1-ethyl-2-[3-(2-fluoro-N-methylanilino)propyl]-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine
CID 111614747
N-ethyl-2-(4-fluorophenyl)ethanamine;3-phenylpropan-1-amine
CID 142832087
ethane;N-ethyl-2-(2-fluorophenyl)ethanamine
CID 155737119
3-[(2-fluoro-N-methylanilino)methyl]phenol
CID 82978376

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-fluoro-N-methylaniline?
The IUPAC name of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-fluoro-N-methylaniline (CID 105347406) is N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-fluoro-N-methylaniline.
What is the SMILES notation for N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-fluoro-N-methylaniline?
The canonical SMILES for N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-fluoro-N-methylaniline is CCNCCc1ccc(CN(C)c2ccccc2F)cc1.
What is the InChIKey of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-fluoro-N-methylaniline?
The InChIKey is QDEWJRLTIBJFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-3-20-13-12-15-8-10-16(11-9-15)14-21(2)18-7-5-4-6-17(18)19/h4-11,20H,3,12-14H2,1-2H3.
What are the key properties of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-fluoro-N-methylaniline?
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-fluoro-N-methylaniline has a molecular weight of 286.39 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-fluoro-N-methylaniline is sourced from PubChem (CID 105347406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).