N-(cyclobutylmethyl)-N-ethyl-3-(ethylaminomethyl)-5-fluoroaniline

C16H25FN2 — CID 107402449

IUPACN-(cyclobutylmethyl)-N-ethyl-3-(ethylaminomethyl)-5-fluoroaniline
SMILESCCNCc1cc(F)cc(N(CC)CC2CCC2)c1
InChIInChI=1S/C16H25FN2/c1-3-18-11-14-8-15(17)10-16(9-14)19(4-2)12-13-6-5-7-13/h8-10,13,18H,3-7,11-12H2,1-2H3
InChIKeyJPMRUNKYPKLOKM-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.56
Rot. Bonds7

About N-(cyclobutylmethyl)-N-ethyl-3-(ethylaminomethyl)-5-fluoroaniline

N-(cyclobutylmethyl)-N-ethyl-3-(ethylaminomethyl)-5-fluoroaniline (PubChem CID 107402449) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-ethyl-3-(ethylaminomethyl)-5-fluoroaniline.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-ethyl-3-(ethylaminomethyl)-5-fluoroaniline
PubChem CID107402449
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-(cyclobutylmethyl)-N-ethyl-3-(ethylaminomethyl)-5-fluoroaniline
SMILESCCNCc1cc(F)cc(N(CC)CC2CCC2)c1
InChIInChI=1S/C16H25FN2/c1-3-18-11-14-8-15(17)10-16(9-14)19(4-2)12-13-6-5-7-13/h8-10,13,18H,3-7,11-12H2,1-2H3
InChIKeyJPMRUNKYPKLOKM-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-3-fluoro-5-(propylaminomethyl)aniline
CID 107402459
N-(cyclobutylmethyl)-N-ethyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 107399877
N,N-diethyl-3-fluoro-5-(methylaminomethyl)aniline
CID 106530735
[3-[cyclopropylmethyl(propyl)amino]-5-fluorophenyl]methanol
CID 106529769
N-(cyclobutylmethyl)-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline
CID 107399963
3-(ethylaminomethyl)-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 106532513
N-[3-(ethylaminomethyl)-5-fluorophenyl]-N,2-dimethyloxolan-3-amine
CID 106532973
3-bromo-N-(cyclobutylmethyl)-N-ethyl-4-(methylaminomethyl)aniline
CID 114060875
N-(cyclobutylmethyl)-4-(ethylaminomethyl)-2-fluoro-N-methylaniline
CID 62860466
N-butyl-3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoroaniline
CID 106532103
3-[ethyl(piperidin-3-ylmethyl)amino]-5-fluorobenzonitrile
CID 106643489
3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 106532725

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-ethyl-3-(ethylaminomethyl)-5-fluoroaniline?
The IUPAC name of N-(cyclobutylmethyl)-N-ethyl-3-(ethylaminomethyl)-5-fluoroaniline (CID 107402449) is N-(cyclobutylmethyl)-N-ethyl-3-(ethylaminomethyl)-5-fluoroaniline.
What is the SMILES notation for N-(cyclobutylmethyl)-N-ethyl-3-(ethylaminomethyl)-5-fluoroaniline?
The canonical SMILES for N-(cyclobutylmethyl)-N-ethyl-3-(ethylaminomethyl)-5-fluoroaniline is CCNCc1cc(F)cc(N(CC)CC2CCC2)c1.
What is the InChIKey of N-(cyclobutylmethyl)-N-ethyl-3-(ethylaminomethyl)-5-fluoroaniline?
The InChIKey is JPMRUNKYPKLOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-18-11-14-8-15(17)10-16(9-14)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-3-(ethylaminomethyl)-5-fluoroaniline?
N-(cyclobutylmethyl)-N-ethyl-3-(ethylaminomethyl)-5-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-3-(ethylaminomethyl)-5-fluoroaniline is sourced from PubChem (CID 107402449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).