N-[1-(aminomethyl)-3-methylcyclobutyl]-N-ethyl-2-fluoroaniline

C14H21FN2 — CID 103562823

IUPACN-[1-(aminomethyl)-3-methylcyclobutyl]-N-ethyl-2-fluoroaniline
SMILESCCN(c1ccccc1F)C1(CN)CC(C)C1
InChIInChI=1S/C14H21FN2/c1-3-17(13-7-5-4-6-12(13)15)14(10-16)8-11(2)9-14/h4-7,11H,3,8-10,16H2,1-2H3
InChIKeyPCXCTRMGZLNNAC-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.78
Rot. Bonds4

About N-[1-(aminomethyl)-3-methylcyclobutyl]-N-ethyl-2-fluoroaniline

N-[1-(aminomethyl)-3-methylcyclobutyl]-N-ethyl-2-fluoroaniline (PubChem CID 103562823) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-methylcyclobutyl]-N-ethyl-2-fluoroaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-methylcyclobutyl]-N-ethyl-2-fluoroaniline
PubChem CID103562823
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-[1-(aminomethyl)-3-methylcyclobutyl]-N-ethyl-2-fluoroaniline
SMILESCCN(c1ccccc1F)C1(CN)CC(C)C1
InChIInChI=1S/C14H21FN2/c1-3-17(13-7-5-4-6-12(13)15)14(10-16)8-11(2)9-14/h4-7,11H,3,8-10,16H2,1-2H3
InChIKeyPCXCTRMGZLNNAC-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-ethyl-2-fluoroaniline
CID 80705886
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-fluoro-N-methylaniline
CID 64622975
N-[(1-amino-3-methylcyclohexyl)methyl]-N-ethyl-2-fluoroaniline
CID 64555317
N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N-butylaniline
CID 64753254
1-(aminomethyl)-N-ethyl-3-methyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine
CID 103563079
3-(aminomethyl)-N-ethyl-1,5-dimethyl-N-phenylpyrrolidin-3-amine
CID 81467474
N-[1-(aminomethyl)-2-methylcyclopentyl]-2-fluoro-N-methylaniline
CID 65045051
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-ethyl-2-fluoroaniline
CID 81170812
3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)oxolan-3-amine
CID 63335056
N'-(2-fluorophenyl)-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 64750042
2-(aminomethyl)-N-ethyl-N-(2-fluorophenyl)aniline
CID 55125489
N-ethyl-N-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 82014462

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-methylcyclobutyl]-N-ethyl-2-fluoroaniline?
The IUPAC name of N-[1-(aminomethyl)-3-methylcyclobutyl]-N-ethyl-2-fluoroaniline (CID 103562823) is N-[1-(aminomethyl)-3-methylcyclobutyl]-N-ethyl-2-fluoroaniline.
What is the SMILES notation for N-[1-(aminomethyl)-3-methylcyclobutyl]-N-ethyl-2-fluoroaniline?
The canonical SMILES for N-[1-(aminomethyl)-3-methylcyclobutyl]-N-ethyl-2-fluoroaniline is CCN(c1ccccc1F)C1(CN)CC(C)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-methylcyclobutyl]-N-ethyl-2-fluoroaniline?
The InChIKey is PCXCTRMGZLNNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-3-17(13-7-5-4-6-12(13)15)14(10-16)8-11(2)9-14/h4-7,11H,3,8-10,16H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-3-methylcyclobutyl]-N-ethyl-2-fluoroaniline?
N-[1-(aminomethyl)-3-methylcyclobutyl]-N-ethyl-2-fluoroaniline has a molecular weight of 236.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-methylcyclobutyl]-N-ethyl-2-fluoroaniline is sourced from PubChem (CID 103562823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).