2-(2-aminobutyl)-N-ethyl-4-fluoro-N-phenylaniline

C18H23FN2 — CID 63787438

IUPAC2-(2-aminobutyl)-N-ethyl-4-fluoro-N-phenylaniline
SMILESCCC(N)Cc1cc(F)ccc1N(CC)c1ccccc1
InChIInChI=1S/C18H23FN2/c1-3-16(20)13-14-12-15(19)10-11-18(14)21(4-2)17-8-6-5-7-9-17/h5-12,16H,3-4,13,20H2,1-2H3
InChIKeySAVMPNRPQKZZGW-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.26
Rot. Bonds6

About 2-(2-aminobutyl)-N-ethyl-4-fluoro-N-phenylaniline

2-(2-aminobutyl)-N-ethyl-4-fluoro-N-phenylaniline (PubChem CID 63787438) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 2-(2-aminobutyl)-N-ethyl-4-fluoro-N-phenylaniline.

Molecular Properties

Compound Name2-(2-aminobutyl)-N-ethyl-4-fluoro-N-phenylaniline
PubChem CID63787438
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name2-(2-aminobutyl)-N-ethyl-4-fluoro-N-phenylaniline
SMILESCCC(N)Cc1cc(F)ccc1N(CC)c1ccccc1
InChIInChI=1S/C18H23FN2/c1-3-16(20)13-14-12-15(19)10-11-18(14)21(4-2)17-8-6-5-7-9-17/h5-12,16H,3-4,13,20H2,1-2H3
InChIKeySAVMPNRPQKZZGW-UHFFFAOYSA-N
XLogP4.26
TPSA29.26 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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(bromomethyl)-N-ethyl-4-fluoro-N-phenylaniline
CID 107079476
2-(2-aminobutyl)-5-chloro-N-ethyl-N-phenylaniline
CID 114860397
2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-fluorophenyl)aniline
CID 63816503
2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-methylphenyl)aniline
CID 63786090
2-(2-aminobutyl)-4-fluoro-N-methyl-N-pentan-2-ylaniline
CID 55235831
1-(5-fluoro-2-phenylsulfanylphenyl)butan-2-amine
CID 55238932
2-[(cyclopropylamino)methyl]-N-ethyl-4-fluoro-N-phenylaniline
CID 43313811
2-(2-aminobutyl)-N-butan-2-yl-N-butyl-4-fluoroaniline
CID 63816560
2-(2-aminopropyl)-4-chloro-N-ethyl-N-(4-fluorophenyl)aniline
CID 114861142
4-(2-aminopropyl)-N-ethyl-2-fluoro-N-phenylaniline
CID 63785098
1-N,4-N,4-N-triethyl-1-N-phenylbenzene-1,2,4-triamine
CID 28809952
2-(2-aminobutyl)-4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 63840153

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-N-ethyl-4-fluoro-N-phenylaniline?
The IUPAC name of 2-(2-aminobutyl)-N-ethyl-4-fluoro-N-phenylaniline (CID 63787438) is 2-(2-aminobutyl)-N-ethyl-4-fluoro-N-phenylaniline.
What is the SMILES notation for 2-(2-aminobutyl)-N-ethyl-4-fluoro-N-phenylaniline?
The canonical SMILES for 2-(2-aminobutyl)-N-ethyl-4-fluoro-N-phenylaniline is CCC(N)Cc1cc(F)ccc1N(CC)c1ccccc1.
What is the InChIKey of 2-(2-aminobutyl)-N-ethyl-4-fluoro-N-phenylaniline?
The InChIKey is SAVMPNRPQKZZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-3-16(20)13-14-12-15(19)10-11-18(14)21(4-2)17-8-6-5-7-9-17/h5-12,16H,3-4,13,20H2,1-2H3.
What are the key properties of 2-(2-aminobutyl)-N-ethyl-4-fluoro-N-phenylaniline?
2-(2-aminobutyl)-N-ethyl-4-fluoro-N-phenylaniline has a molecular weight of 286.39 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutyl)-N-ethyl-4-fluoro-N-phenylaniline is sourced from PubChem (CID 63787438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).