2-(1-aminoethyl)-3-fluoro-N-methyl-N-pentylaniline

C14H23FN2 — CID 43295036

IUPAC2-(1-aminoethyl)-3-fluoro-N-methyl-N-pentylaniline
SMILESCCCCCN(C)c1cccc(F)c1C(C)N
InChIInChI=1S/C14H23FN2/c1-4-5-6-10-17(3)13-9-7-8-12(15)14(13)11(2)16/h7-9,11H,4-6,10,16H2,1-3H3
InChIKeyLPTOZHVTIAQKBU-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.47
Rot. Bonds6

About 2-(1-aminoethyl)-3-fluoro-N-methyl-N-pentylaniline

2-(1-aminoethyl)-3-fluoro-N-methyl-N-pentylaniline (PubChem CID 43295036) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-(1-aminoethyl)-3-fluoro-N-methyl-N-pentylaniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-3-fluoro-N-methyl-N-pentylaniline
PubChem CID43295036
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name2-(1-aminoethyl)-3-fluoro-N-methyl-N-pentylaniline
SMILESCCCCCN(C)c1cccc(F)c1C(C)N
InChIInChI=1S/C14H23FN2/c1-4-5-6-10-17(3)13-9-7-8-12(15)14(13)11(2)16/h7-9,11H,4-6,10,16H2,1-3H3
InChIKeyLPTOZHVTIAQKBU-UHFFFAOYSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(1-aminoethyl)-3-fluoro-N-methyl-N-pentylaniline 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

(1R)-1-[2-[butyl(methyl)amino]-6-fluorophenyl]ethanol
CID 63371580
2-[2-[(1S)-1-aminoethyl]-N-butyl-3-fluoroanilino]ethanol
CID 78934634
2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-pentan-3-ylaniline
CID 63369402
1-[2-[3-(dimethylamino)propyl-methylamino]-6-fluorophenyl]ethanol
CID 55226767
2-(1-aminoethyl)-3-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 43105495
2-[(1S)-1-aminoethyl]-3-fluoro-N-(1-methoxypropan-2-yl)-N-methylaniline
CID 55188889
2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-pentylaniline
CID 63368290
2-(1-aminoethyl)-N-[(2-bromophenyl)methyl]-3-fluoro-N-methylaniline
CID 61416480
2-[(1R)-1-aminoethyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-N-methylaniline
CID 105415231
5-[2-[1-(ethylamino)ethyl]-3-fluoro-N-methylanilino]pentan-1-ol
CID 107200509
1-(2-fluoro-6-pentylsulfanylphenyl)ethanamine
CID 107750658
2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 55189238

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-3-fluoro-N-methyl-N-pentylaniline?
The IUPAC name of 2-(1-aminoethyl)-3-fluoro-N-methyl-N-pentylaniline (CID 43295036) is 2-(1-aminoethyl)-3-fluoro-N-methyl-N-pentylaniline.
What is the SMILES notation for 2-(1-aminoethyl)-3-fluoro-N-methyl-N-pentylaniline?
The canonical SMILES for 2-(1-aminoethyl)-3-fluoro-N-methyl-N-pentylaniline is CCCCCN(C)c1cccc(F)c1C(C)N.
What is the InChIKey of 2-(1-aminoethyl)-3-fluoro-N-methyl-N-pentylaniline?
The InChIKey is LPTOZHVTIAQKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-4-5-6-10-17(3)13-9-7-8-12(15)14(13)11(2)16/h7-9,11H,4-6,10,16H2,1-3H3.
What are the key properties of 2-(1-aminoethyl)-3-fluoro-N-methyl-N-pentylaniline?
2-(1-aminoethyl)-3-fluoro-N-methyl-N-pentylaniline has a molecular weight of 238.35 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-3-fluoro-N-methyl-N-pentylaniline is sourced from PubChem (CID 43295036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).