2-[(1R)-1-aminopentyl]-4-fluoroaniline;dihydrochloride

C11H19Cl2FN2 — CID 162344534

IUPAC2-[(1R)-1-aminopentyl]-4-fluoroaniline;dihydrochloride
SMILESCCCC[C@@H](N)c1cc(F)ccc1N.Cl.Cl
InChIInChI=1S/C11H17FN2.2ClH/c1-2-3-4-10(13)9-7-8(12)5-6-11(9)14;;/h5-7,10H,2-4,13-14H2,1H3;2*1H/t10-;;/m1../s1
InChIKeyGLUHIUGXEAVQNE-YQFADDPSSA-N
MW269.19 g/mol
LogP3.44
Rot. Bonds4

About 2-[(1R)-1-aminopentyl]-4-fluoroaniline;dihydrochloride

2-[(1R)-1-aminopentyl]-4-fluoroaniline;dihydrochloride (PubChem CID 162344534) has the molecular formula C11H19Cl2FN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 2-[(1R)-1-aminopentyl]-4-fluoroaniline;dihydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-aminopentyl]-4-fluoroaniline;dihydrochloride
PubChem CID162344534
Molecular FormulaC11H19Cl2FN2
Molecular Weight269.19 g/mol
Exact Mass268.09
IUPAC Name2-[(1R)-1-aminopentyl]-4-fluoroaniline;dihydrochloride
SMILESCCCC[C@@H](N)c1cc(F)ccc1N.Cl.Cl
InChIInChI=1S/C11H17FN2.2ClH/c1-2-3-4-10(13)9-7-8(12)5-6-11(9)14;;/h5-7,10H,2-4,13-14H2,1H3;2*1H/t10-;;/m1../s1
InChIKeyGLUHIUGXEAVQNE-YQFADDPSSA-N
XLogP3.44
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-1-aminobutyl]-4-fluoroaniline
CID 130859699
(1R)-1-(2-bromo-5-fluorophenyl)pentan-1-amine;hydrochloride
CID 171202646
(1R)-1-(2-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride
CID 171201221
2-[(1R)-1-aminohexyl]-4-fluorophenol;hydrochloride
CID 171198955
2-[(1S)-1-aminohexyl]-4-fluorophenol
CID 171218475
1-(4-fluorophenyl)pentan-1-amine;hydrochloride
CID 86262916
4-fluoro-2-(1-hydrazinyldecyl)aniline
CID 105263176
4-fluoro-2-(1-hydrazinylundecyl)aniline
CID 105263337
2-[(1S)-1-aminobutyl]-4-fluorophenol;hydrochloride
CID 162344095
1-(2-ethyl-5-fluorophenyl)butan-1-amine
CID 55268868
(1S)-1-(2-chloro-4-fluorophenyl)hexan-1-amine
CID 171223780
(1R)-1-(2-fluoro-5-iodophenyl)pentan-1-amine;hydrochloride
CID 171216184

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminopentyl]-4-fluoroaniline;dihydrochloride?
The IUPAC name of 2-[(1R)-1-aminopentyl]-4-fluoroaniline;dihydrochloride (CID 162344534) is 2-[(1R)-1-aminopentyl]-4-fluoroaniline;dihydrochloride.
What is the SMILES notation for 2-[(1R)-1-aminopentyl]-4-fluoroaniline;dihydrochloride?
The canonical SMILES for 2-[(1R)-1-aminopentyl]-4-fluoroaniline;dihydrochloride is CCCC[C@@H](N)c1cc(F)ccc1N.Cl.Cl.
What is the InChIKey of 2-[(1R)-1-aminopentyl]-4-fluoroaniline;dihydrochloride?
The InChIKey is GLUHIUGXEAVQNE-YQFADDPSSA-N. The full InChI is InChI=1S/C11H17FN2.2ClH/c1-2-3-4-10(13)9-7-8(12)5-6-11(9)14;;/h5-7,10H,2-4,13-14H2,1H3;2*1H/t10-;;/m1../s1.
What are the key properties of 2-[(1R)-1-aminopentyl]-4-fluoroaniline;dihydrochloride?
2-[(1R)-1-aminopentyl]-4-fluoroaniline;dihydrochloride has a molecular weight of 269.19 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminopentyl]-4-fluoroaniline;dihydrochloride is sourced from PubChem (CID 162344534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).