N-(cyclopropylmethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline

C14H21FN2 — CID 114065675

IUPACN-(cyclopropylmethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline
SMILESCCN(CC1CC1)c1cccc(F)c1CNC
InChIInChI=1S/C14H21FN2/c1-3-17(10-11-7-8-11)14-6-4-5-13(15)12(14)9-16-2/h4-6,11,16H,3,7-10H2,1-2H3
InChIKeyZYGGSKUYVIVCBG-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.78
Rot. Bonds6

About N-(cyclopropylmethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline

N-(cyclopropylmethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline (PubChem CID 114065675) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline
PubChem CID114065675
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-(cyclopropylmethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline
SMILESCCN(CC1CC1)c1cccc(F)c1CNC
InChIInChI=1S/C14H21FN2/c1-3-17(10-11-7-8-11)14-6-4-5-13(15)12(14)9-16-2/h4-6,11,16H,3,7-10H2,1-2H3
InChIKeyZYGGSKUYVIVCBG-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(cyclobutylmethyl)-N-ethyl-2-(methylaminomethyl)aniline
CID 107399886
N-(2-ethoxyethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline
CID 114065673
(1S)-1-[2-[cyclopropylmethyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 78954480
(1R)-1-[2-[cyclobutylmethyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 107399695
N-(cyclopropylmethyl)-N-ethyl-4-(methylaminomethyl)pyridin-3-amine
CID 105073981
2-(aminomethyl)-N,N-diethyl-3-fluoroaniline
CID 56604751
4-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethyl-2-fluoroaniline
CID 63957048
N-ethyl-2-fluoro-N-[(2-methylpiperidin-4-yl)methyl]aniline
CID 106741025
N-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopropylmethyl)ethanamine
CID 86940190
(1S)-1-[2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol
CID 63955607
N-(cyclopropylmethyl)-N-ethyl-4-(methylaminomethyl)isoquinolin-1-amine
CID 106776241
N-(cyclobutylmethyl)-N-ethyl-2-fluoro-4-[(propan-2-ylamino)methyl]aniline
CID 107399971

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline?
The IUPAC name of N-(cyclopropylmethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline (CID 114065675) is N-(cyclopropylmethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline.
What is the SMILES notation for N-(cyclopropylmethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline?
The canonical SMILES for N-(cyclopropylmethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline is CCN(CC1CC1)c1cccc(F)c1CNC.
What is the InChIKey of N-(cyclopropylmethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline?
The InChIKey is ZYGGSKUYVIVCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-3-17(10-11-7-8-11)14-6-4-5-13(15)12(14)9-16-2/h4-6,11,16H,3,7-10H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline?
N-(cyclopropylmethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline has a molecular weight of 236.33 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline is sourced from PubChem (CID 114065675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).