N-[[4-(diethylamino)phenyl]methyl]-2-fluoro-5-methylaniline

C18H23FN2 — CID 28968123

IUPACN-[[4-(diethylamino)phenyl]methyl]-2-fluoro-5-methylaniline
SMILESCCN(CC)c1ccc(CNc2cc(C)ccc2F)cc1
InChIInChI=1S/C18H23FN2/c1-4-21(5-2)16-9-7-15(8-10-16)13-20-18-12-14(3)6-11-17(18)19/h6-12,20H,4-5,13H2,1-3H3
InChIKeySXZQXYYEOIVWKS-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.59
Rot. Bonds6

About N-[[4-(diethylamino)phenyl]methyl]-2-fluoro-5-methylaniline

N-[[4-(diethylamino)phenyl]methyl]-2-fluoro-5-methylaniline (PubChem CID 28968123) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methyl]-2-fluoro-5-methylaniline.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methyl]-2-fluoro-5-methylaniline
PubChem CID28968123
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC NameN-[[4-(diethylamino)phenyl]methyl]-2-fluoro-5-methylaniline
SMILESCCN(CC)c1ccc(CNc2cc(C)ccc2F)cc1
InChIInChI=1S/C18H23FN2/c1-4-21(5-2)16-9-7-15(8-10-16)13-20-18-12-14(3)6-11-17(18)19/h6-12,20H,4-5,13H2,1-3H3
InChIKeySXZQXYYEOIVWKS-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.59
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

N-[[4-(diethylamino)phenyl]methyl]-3-fluoro-2-methylaniline
CID 63454872
2-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylaniline
CID 28968417
2-fluoro-5-methyl-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]aniline
CID 97249625
4-N,4-N-diethyl-1-N-[(4-fluoro-3-methylphenyl)methyl]benzene-1,4-diamine
CID 62120225
4-[(2-fluoro-5-methylanilino)methyl]benzene-1,2-diol
CID 28968371
4-chloro-N-[[4-(diethylamino)phenyl]methyl]-2-iodoaniline
CID 107631454
N-[(3-bromo-4-methylphenyl)methyl]-2-fluoro-5-methylaniline
CID 105401099
2-fluoro-5-methyl-N-(pyrimidin-5-ylmethyl)aniline
CID 62760447
2-fluoro-N-[(3-fluorophenyl)methyl]-5-methylaniline
CID 28879450
2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053781
N-[(1-ethylpyrrol-3-yl)methyl]-2-fluoro-5-methylaniline
CID 66397973
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline
CID 43235538

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-2-fluoro-5-methylaniline?
The IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-2-fluoro-5-methylaniline (CID 28968123) is N-[[4-(diethylamino)phenyl]methyl]-2-fluoro-5-methylaniline.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methyl]-2-fluoro-5-methylaniline?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methyl]-2-fluoro-5-methylaniline is CCN(CC)c1ccc(CNc2cc(C)ccc2F)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methyl]-2-fluoro-5-methylaniline?
The InChIKey is SXZQXYYEOIVWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-4-21(5-2)16-9-7-15(8-10-16)13-20-18-12-14(3)6-11-17(18)19/h6-12,20H,4-5,13H2,1-3H3.
What are the key properties of N-[[4-(diethylamino)phenyl]methyl]-2-fluoro-5-methylaniline?
N-[[4-(diethylamino)phenyl]methyl]-2-fluoro-5-methylaniline has a molecular weight of 286.39 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methyl]-2-fluoro-5-methylaniline is sourced from PubChem (CID 28968123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).