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

C16H25FN2 — CID 107402451

IUPAC2-(2-aminopropyl)-N-(cyclobutylmethyl)-N-ethyl-4-fluoroaniline
SMILESCCN(CC1CCC1)c1ccc(F)cc1CC(C)N
InChIInChI=1S/C16H25FN2/c1-3-19(11-13-5-4-6-13)16-8-7-15(17)10-14(16)9-12(2)18/h7-8,10,12-13H,3-6,9,11,18H2,1-2H3
InChIKeyGSMNDBYXWHJONB-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.34
Rot. Bonds6

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

2-(2-aminopropyl)-N-(cyclobutylmethyl)-N-ethyl-4-fluoroaniline (PubChem CID 107402451) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-(2-aminopropyl)-N-(cyclobutylmethyl)-N-ethyl-4-fluoroaniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-N-(cyclobutylmethyl)-N-ethyl-4-fluoroaniline
PubChem CID107402451
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name2-(2-aminopropyl)-N-(cyclobutylmethyl)-N-ethyl-4-fluoroaniline
SMILESCCN(CC1CCC1)c1ccc(F)cc1CC(C)N
InChIInChI=1S/C16H25FN2/c1-3-19(11-13-5-4-6-13)16-8-7-15(17)10-14(16)9-12(2)18/h7-8,10,12-13H,3-6,9,11,18H2,1-2H3
InChIKeyGSMNDBYXWHJONB-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-aminopropyl)-N-(cyclobutylmethyl)-N-ethyl-4-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-aminopropyl)-5-bromo-N-(cyclobutylmethyl)-N-ethylaniline
CID 107402418
N-(cyclobutylmethyl)-N-ethyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 107399877
4-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluoroaniline
CID 107399231
N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-[(2-methoxyethylamino)methyl]aniline
CID 107399978
2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-propylaniline
CID 63785632
2-[(1R)-1-aminoethyl]-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-5-methylaniline
CID 107399251
N-(cyclobutylmethyl)-N-ethyl-2-fluoro-4-[(propan-2-ylamino)methyl]aniline
CID 107399971
(E)-3-[2-[cyclobutylmethyl(ethyl)amino]-5-fluorophenyl]prop-2-enoic acid
CID 107400021
2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-fluorophenyl)aniline
CID 63816503
2-(bromomethyl)-N-(cyclobutylmethyl)-N-ethylaniline
CID 107399750
2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline
CID 63795748
4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-ethyl-2,6-difluoroaniline
CID 63938764

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-N-(cyclobutylmethyl)-N-ethyl-4-fluoroaniline?
The IUPAC name of 2-(2-aminopropyl)-N-(cyclobutylmethyl)-N-ethyl-4-fluoroaniline (CID 107402451) is 2-(2-aminopropyl)-N-(cyclobutylmethyl)-N-ethyl-4-fluoroaniline.
What is the SMILES notation for 2-(2-aminopropyl)-N-(cyclobutylmethyl)-N-ethyl-4-fluoroaniline?
The canonical SMILES for 2-(2-aminopropyl)-N-(cyclobutylmethyl)-N-ethyl-4-fluoroaniline is CCN(CC1CCC1)c1ccc(F)cc1CC(C)N.
What is the InChIKey of 2-(2-aminopropyl)-N-(cyclobutylmethyl)-N-ethyl-4-fluoroaniline?
The InChIKey is GSMNDBYXWHJONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-19(11-13-5-4-6-13)16-8-7-15(17)10-14(16)9-12(2)18/h7-8,10,12-13H,3-6,9,11,18H2,1-2H3.
What are the key properties of 2-(2-aminopropyl)-N-(cyclobutylmethyl)-N-ethyl-4-fluoroaniline?
2-(2-aminopropyl)-N-(cyclobutylmethyl)-N-ethyl-4-fluoroaniline has a molecular weight of 264.39 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-N-(cyclobutylmethyl)-N-ethyl-4-fluoroaniline is sourced from PubChem (CID 107402451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).