N-(cyclobutylmethyl)-N-ethyl-2-(ethylaminomethyl)-4-fluoroaniline

C16H25FN2 — CID 107399877

IUPACN-(cyclobutylmethyl)-N-ethyl-2-(ethylaminomethyl)-4-fluoroaniline
SMILESCCNCc1cc(F)ccc1N(CC)CC1CCC1
InChIInChI=1S/C16H25FN2/c1-3-18-11-14-10-15(17)8-9-16(14)19(4-2)12-13-6-5-7-13/h8-10,13,18H,3-7,11-12H2,1-2H3
InChIKeyRNEPUXSKGITLAI-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.56
Rot. Bonds7

About N-(cyclobutylmethyl)-N-ethyl-2-(ethylaminomethyl)-4-fluoroaniline

N-(cyclobutylmethyl)-N-ethyl-2-(ethylaminomethyl)-4-fluoroaniline (PubChem CID 107399877) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-ethyl-2-(ethylaminomethyl)-4-fluoroaniline.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-ethyl-2-(ethylaminomethyl)-4-fluoroaniline
PubChem CID107399877
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-(cyclobutylmethyl)-N-ethyl-2-(ethylaminomethyl)-4-fluoroaniline
SMILESCCNCc1cc(F)ccc1N(CC)CC1CCC1
InChIInChI=1S/C16H25FN2/c1-3-18-11-14-10-15(17)8-9-16(14)19(4-2)12-13-6-5-7-13/h8-10,13,18H,3-7,11-12H2,1-2H3
InChIKeyRNEPUXSKGITLAI-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-[(2-methoxyethylamino)methyl]aniline
CID 107399978
2-(2-aminopropyl)-N-(cyclobutylmethyl)-N-ethyl-4-fluoroaniline
CID 107402451
N-cyclopropyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 43313923
N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-2-methylpyridin-4-amine
CID 107401789
N-(cyclobutylmethyl)-N-ethyl-3-(ethylaminomethyl)-5-fluoroaniline
CID 107402449
N,N-dibutyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 43313896
(E)-3-[2-[cyclobutylmethyl(ethyl)amino]-5-fluorophenyl]prop-2-enoic acid
CID 107400021
5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)aniline
CID 63956035
N-ethyl-2-(ethylaminomethyl)-4-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 61437397
N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 102920810
2-(ethylaminomethyl)-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79319992
4-[cyclobutylmethyl(ethyl)amino]-3-fluorobenzaldehyde
CID 107399466

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-ethyl-2-(ethylaminomethyl)-4-fluoroaniline?
The IUPAC name of N-(cyclobutylmethyl)-N-ethyl-2-(ethylaminomethyl)-4-fluoroaniline (CID 107399877) is N-(cyclobutylmethyl)-N-ethyl-2-(ethylaminomethyl)-4-fluoroaniline.
What is the SMILES notation for N-(cyclobutylmethyl)-N-ethyl-2-(ethylaminomethyl)-4-fluoroaniline?
The canonical SMILES for N-(cyclobutylmethyl)-N-ethyl-2-(ethylaminomethyl)-4-fluoroaniline is CCNCc1cc(F)ccc1N(CC)CC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-N-ethyl-2-(ethylaminomethyl)-4-fluoroaniline?
The InChIKey is RNEPUXSKGITLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-18-11-14-10-15(17)8-9-16(14)19(4-2)12-13-6-5-7-13/h8-10,13,18H,3-7,11-12H2,1-2H3.
What are the key properties of N-(cyclobutylmethyl)-N-ethyl-2-(ethylaminomethyl)-4-fluoroaniline?
N-(cyclobutylmethyl)-N-ethyl-2-(ethylaminomethyl)-4-fluoroaniline has a molecular weight of 264.39 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-ethyl-2-(ethylaminomethyl)-4-fluoroaniline is sourced from PubChem (CID 107399877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).