N-butyl-N-cyclopropyl-4-fluoro-2-[1-(methylamino)ethyl]aniline

C16H25FN2 — CID 61441356

IUPACN-butyl-N-cyclopropyl-4-fluoro-2-[1-(methylamino)ethyl]aniline
SMILESCCCCN(c1ccc(F)cc1C(C)NC)C1CC1
InChIInChI=1S/C16H25FN2/c1-4-5-10-19(14-7-8-14)16-9-6-13(17)11-15(16)12(2)18-3/h6,9,11-12,14,18H,4-5,7-8,10H2,1-3H3
InChIKeyCMOUUTINMSBZQE-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.88
Rot. Bonds7

About N-butyl-N-cyclopropyl-4-fluoro-2-[1-(methylamino)ethyl]aniline

N-butyl-N-cyclopropyl-4-fluoro-2-[1-(methylamino)ethyl]aniline (PubChem CID 61441356) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-butyl-N-cyclopropyl-4-fluoro-2-[1-(methylamino)ethyl]aniline.

Molecular Properties

Compound NameN-butyl-N-cyclopropyl-4-fluoro-2-[1-(methylamino)ethyl]aniline
PubChem CID61441356
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-butyl-N-cyclopropyl-4-fluoro-2-[1-(methylamino)ethyl]aniline
SMILESCCCCN(c1ccc(F)cc1C(C)NC)C1CC1
InChIInChI=1S/C16H25FN2/c1-4-5-10-19(14-7-8-14)16-9-6-13(17)11-15(16)12(2)18-3/h6,9,11-12,14,18H,4-5,7-8,10H2,1-3H3
InChIKeyCMOUUTINMSBZQE-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-butyl-N-cyclopropyl-4-fluoro-2-[1-(methylamino)ethyl]aniline 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-[N-cyclopropyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol
CID 54995199
2-[(1R)-1-aminoethyl]-N-cyclopropyl-4-fluoro-N-propylaniline
CID 55190464
2-[N-cyclobutyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol
CID 102863558
4-[(1R)-1-aminoethyl]-N-butyl-N-cyclopropyl-2-fluoroaniline
CID 63368751
N-cyclopentyl-N-ethyl-2-[1-(ethylamino)ethyl]-4-fluoroaniline
CID 43541268
1-[2-[cyclopropyl(ethyl)amino]-5-fluorophenyl]ethanol
CID 43506129
N-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]-N-methyloxan-4-amine
CID 43611306
N-(1-cyclopropylethyl)-4-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 43569234
N-cyclopropyl-2-fluoro-6-[1-(methylamino)ethyl]-N-propylaniline
CID 114058621
2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(4-methylcyclohexyl)aniline
CID 63533131
(1R)-1-[2-[cyclopentyl(2-hydroxyethyl)amino]-5-fluorophenyl]ethanol
CID 63372730
1-[2-[cyclopropyl(cyclopropylmethyl)amino]-5-fluorophenyl]ethanol
CID 64520190

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-cyclopropyl-4-fluoro-2-[1-(methylamino)ethyl]aniline?
The IUPAC name of N-butyl-N-cyclopropyl-4-fluoro-2-[1-(methylamino)ethyl]aniline (CID 61441356) is N-butyl-N-cyclopropyl-4-fluoro-2-[1-(methylamino)ethyl]aniline.
What is the SMILES notation for N-butyl-N-cyclopropyl-4-fluoro-2-[1-(methylamino)ethyl]aniline?
The canonical SMILES for N-butyl-N-cyclopropyl-4-fluoro-2-[1-(methylamino)ethyl]aniline is CCCCN(c1ccc(F)cc1C(C)NC)C1CC1.
What is the InChIKey of N-butyl-N-cyclopropyl-4-fluoro-2-[1-(methylamino)ethyl]aniline?
The InChIKey is CMOUUTINMSBZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-4-5-10-19(14-7-8-14)16-9-6-13(17)11-15(16)12(2)18-3/h6,9,11-12,14,18H,4-5,7-8,10H2,1-3H3.
What are the key properties of N-butyl-N-cyclopropyl-4-fluoro-2-[1-(methylamino)ethyl]aniline?
N-butyl-N-cyclopropyl-4-fluoro-2-[1-(methylamino)ethyl]aniline has a molecular weight of 264.39 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-cyclopropyl-4-fluoro-2-[1-(methylamino)ethyl]aniline is sourced from PubChem (CID 61441356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).