N,N-dibutyl-2-(ethylaminomethyl)-4-fluoroaniline

C17H29FN2 — CID 43313896

IUPACN,N-dibutyl-2-(ethylaminomethyl)-4-fluoroaniline
SMILESCCCCN(CCCC)c1ccc(F)cc1CNCC
InChIInChI=1S/C17H29FN2/c1-4-7-11-20(12-8-5-2)17-10-9-16(18)13-15(17)14-19-6-3/h9-10,13,19H,4-8,11-12,14H2,1-3H3
InChIKeyXRRJAOMONBDFRN-UHFFFAOYSA-N
MW280.43 g/mol
LogP4.34
Rot. Bonds10

About N,N-dibutyl-2-(ethylaminomethyl)-4-fluoroaniline

N,N-dibutyl-2-(ethylaminomethyl)-4-fluoroaniline (PubChem CID 43313896) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is N,N-dibutyl-2-(ethylaminomethyl)-4-fluoroaniline.

Molecular Properties

Compound NameN,N-dibutyl-2-(ethylaminomethyl)-4-fluoroaniline
PubChem CID43313896
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC NameN,N-dibutyl-2-(ethylaminomethyl)-4-fluoroaniline
SMILESCCCCN(CCCC)c1ccc(F)cc1CNCC
InChIInChI=1S/C17H29FN2/c1-4-7-11-20(12-8-5-2)17-10-9-16(18)13-15(17)14-19-6-3/h9-10,13,19H,4-8,11-12,14H2,1-3H3
InChIKeyXRRJAOMONBDFRN-UHFFFAOYSA-N
XLogP4.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[N-butyl-2-(ethylaminomethyl)-4-fluoroanilino]ethanol
CID 61447090
N-butan-2-yl-N-butyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 63551014
2-(ethylaminomethyl)-4-fluoro-N-propan-2-yl-N-propylaniline
CID 43313953
5-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]pentan-1-ol
CID 107201266
2-(ethylaminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82961156
N-(cyclobutylmethyl)-N-ethyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 107399877
4-chloro-2-(ethylaminomethyl)-N,N-dipropylaniline
CID 114847374
2-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]propan-1-ol
CID 113426132
N-cyclopropyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 43313923
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
N-ethyl-2-(ethylaminomethyl)-4-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 61437397
N-butyl-2-(ethylaminomethyl)-5-fluoro-N-methylbenzenesulfonamide
CID 102920241

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-(ethylaminomethyl)-4-fluoroaniline?
The IUPAC name of N,N-dibutyl-2-(ethylaminomethyl)-4-fluoroaniline (CID 43313896) is N,N-dibutyl-2-(ethylaminomethyl)-4-fluoroaniline.
What is the SMILES notation for N,N-dibutyl-2-(ethylaminomethyl)-4-fluoroaniline?
The canonical SMILES for N,N-dibutyl-2-(ethylaminomethyl)-4-fluoroaniline is CCCCN(CCCC)c1ccc(F)cc1CNCC.
What is the InChIKey of N,N-dibutyl-2-(ethylaminomethyl)-4-fluoroaniline?
The InChIKey is XRRJAOMONBDFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2/c1-4-7-11-20(12-8-5-2)17-10-9-16(18)13-15(17)14-19-6-3/h9-10,13,19H,4-8,11-12,14H2,1-3H3.
What are the key properties of N,N-dibutyl-2-(ethylaminomethyl)-4-fluoroaniline?
N,N-dibutyl-2-(ethylaminomethyl)-4-fluoroaniline has a molecular weight of 280.43 g/mol, XLogP of 4.34, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-(ethylaminomethyl)-4-fluoroaniline is sourced from PubChem (CID 43313896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).