N-benzyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline

C18H23FN2 — CID 43284102

IUPACN-benzyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline
SMILESCCNC(C)c1ccc(N(C)Cc2ccccc2)c(F)c1
InChIInChI=1S/C18H23FN2/c1-4-20-14(2)16-10-11-18(17(19)12-16)21(3)13-15-8-6-5-7-9-15/h5-12,14,20H,4,13H2,1-3H3
InChIKeyVWPAGJPYLZRVIK-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.13
Rot. Bonds6

About N-benzyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline

N-benzyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline (PubChem CID 43284102) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is N-benzyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-benzyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline
PubChem CID43284102
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC NameN-benzyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline
SMILESCCNC(C)c1ccc(N(C)Cc2ccccc2)c(F)c1
InChIInChI=1S/C18H23FN2/c1-4-20-14(2)16-10-11-18(17(19)12-16)21(3)13-15-8-6-5-7-9-15/h5-12,14,20H,4,13H2,1-3H3
InChIKeyVWPAGJPYLZRVIK-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2,4-difluoro-N-methylaniline
CID 110454539
N-cyclopentyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline
CID 43284607
4-[1-(ethylamino)ethyl]-2-fluoro-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63532693
2-fluoro-N-methyl-N-propyl-4-[1-(propylamino)ethyl]aniline
CID 43284666
N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N-methylcycloheptanamine
CID 43614154
2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline
CID 43526990
N-benzyl-2-bromo-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 62907620
2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline
CID 61411745
4-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 63369395
N-[(4-chlorophenyl)methyl]-4-[1-(ethylamino)ethyl]-N-methylaniline
CID 61415085
4-[(1S)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 78934897
1-[3-fluoro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 61412978

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline?
The IUPAC name of N-benzyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline (CID 43284102) is N-benzyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline.
What is the SMILES notation for N-benzyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline?
The canonical SMILES for N-benzyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline is CCNC(C)c1ccc(N(C)Cc2ccccc2)c(F)c1.
What is the InChIKey of N-benzyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline?
The InChIKey is VWPAGJPYLZRVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-4-20-14(2)16-10-11-18(17(19)12-16)21(3)13-15-8-6-5-7-9-15/h5-12,14,20H,4,13H2,1-3H3.
What are the key properties of N-benzyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline?
N-benzyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline has a molecular weight of 286.39 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline is sourced from PubChem (CID 43284102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).