4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline

C17H28FN3 — CID 79312079

IUPAC4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
SMILESCCC(N)Cc1ccc(N(C)CC2CCCN2C)c(F)c1
InChIInChI=1S/C17H28FN3/c1-4-14(19)10-13-7-8-17(16(18)11-13)21(3)12-15-6-5-9-20(15)2/h7-8,11,14-15H,4-6,9-10,12,19H2,1-3H3
InChIKeyIHYKKSZRNDNNCT-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.64
Rot. Bonds6

About 4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline

4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline (PubChem CID 79312079) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is 4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
PubChem CID79312079
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC Name4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
SMILESCCC(N)Cc1ccc(N(C)CC2CCCN2C)c(F)c1
InChIInChI=1S/C17H28FN3/c1-4-14(19)10-13-7-8-17(16(18)11-13)21(3)12-15-6-5-9-20(15)2/h7-8,11,14-15H,4-6,9-10,12,19H2,1-3H3
InChIKeyIHYKKSZRNDNNCT-UHFFFAOYSA-N
XLogP2.64
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]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

4-(2-aminoethyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79318214
2-(2-aminobutyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 114861923
2-(2-aminobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79318453
4-(2-aminobutyl)-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 63795040
4-(2-aminobutyl)-N-(1-cyclopropylethyl)-2-fluoro-N-methylaniline
CID 63787146
4-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoro-N-methylaniline
CID 79318756
[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-fluorophenyl]methanol
CID 79319283
4-(2-aminobutyl)-2-fluoro-N-methyl-N-pentylaniline
CID 63785639
4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63793316
4-(2-aminopropyl)-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline
CID 55235260
4-(2-aminobutyl)-N-(cyclobutylmethyl)-N,2-dimethylaniline
CID 63794503
1-[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]butan-2-amine
CID 63787296

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The IUPAC name of 4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline (CID 79312079) is 4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline.
What is the SMILES notation for 4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The canonical SMILES for 4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline is CCC(N)Cc1ccc(N(C)CC2CCCN2C)c(F)c1.
What is the InChIKey of 4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The InChIKey is IHYKKSZRNDNNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-4-14(19)10-13-7-8-17(16(18)11-13)21(3)12-15-6-5-9-20(15)2/h7-8,11,14-15H,4-6,9-10,12,19H2,1-3H3.
What are the key properties of 4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline has a molecular weight of 293.43 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline is sourced from PubChem (CID 79312079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).