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

C10H17Cl2FN2 — CID 162344478

IUPAC2-[(1R)-1-amino-2-methylpropyl]-4-fluoroaniline;dihydrochloride
SMILESCC(C)[C@@H](N)c1cc(F)ccc1N.Cl.Cl
InChIInChI=1S/C10H15FN2.2ClH/c1-6(2)10(13)8-5-7(11)3-4-9(8)12;;/h3-6,10H,12-13H2,1-2H3;2*1H/t10-;;/m1../s1
InChIKeyQEPYTFIGSWQHGV-YQFADDPSSA-N
MW255.16 g/mol
LogP2.91
Rot. Bonds2

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

2-[(1R)-1-amino-2-methylpropyl]-4-fluoroaniline;dihydrochloride (PubChem CID 162344478) has the molecular formula C10H17Cl2FN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2-methylpropyl]-4-fluoroaniline;dihydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-amino-2-methylpropyl]-4-fluoroaniline;dihydrochloride
PubChem CID162344478
Molecular FormulaC10H17Cl2FN2
Molecular Weight255.16 g/mol
Exact Mass254.08
IUPAC Name2-[(1R)-1-amino-2-methylpropyl]-4-fluoroaniline;dihydrochloride
SMILESCC(C)[C@@H](N)c1cc(F)ccc1N.Cl.Cl
InChIInChI=1S/C10H15FN2.2ClH/c1-6(2)10(13)8-5-7(11)3-4-9(8)12;;/h3-6,10H,12-13H2,1-2H3;2*1H/t10-;;/m1../s1
InChIKeyQEPYTFIGSWQHGV-YQFADDPSSA-N
XLogP2.91
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.91
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

1-(5-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 60730207
(1S)-1-(2-bromo-5-fluorophenyl)-2-methylpropan-1-amine
CID 131093124
2-[(1R)-1-aminopentyl]-4-fluoroaniline;dihydrochloride
CID 162344534
2-[(1S)-1-aminobutyl]-4-fluoroaniline
CID 130859699
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729
2-[(1S)-1-amino-2-methylpropyl]-5-fluorobenzonitrile
CID 130703506
4-fluoro-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline
CID 105263294
1-(2-amino-5-fluorophenyl)-3-methylbutan-1-ol
CID 82685546
[2-[(1S)-1-amino-2-methylpropyl]-5-fluorophenyl]methanol
CID 130731463
(1R)-1-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride
CID 45072381
(1S)-1-amino-1-(2-amino-4-fluorophenyl)propan-2-ol
CID 130707231
(1S)-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 7129632

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2-methylpropyl]-4-fluoroaniline;dihydrochloride?
The IUPAC name of 2-[(1R)-1-amino-2-methylpropyl]-4-fluoroaniline;dihydrochloride (CID 162344478) is 2-[(1R)-1-amino-2-methylpropyl]-4-fluoroaniline;dihydrochloride.
What is the SMILES notation for 2-[(1R)-1-amino-2-methylpropyl]-4-fluoroaniline;dihydrochloride?
The canonical SMILES for 2-[(1R)-1-amino-2-methylpropyl]-4-fluoroaniline;dihydrochloride is CC(C)[C@@H](N)c1cc(F)ccc1N.Cl.Cl.
What is the InChIKey of 2-[(1R)-1-amino-2-methylpropyl]-4-fluoroaniline;dihydrochloride?
The InChIKey is QEPYTFIGSWQHGV-YQFADDPSSA-N. The full InChI is InChI=1S/C10H15FN2.2ClH/c1-6(2)10(13)8-5-7(11)3-4-9(8)12;;/h3-6,10H,12-13H2,1-2H3;2*1H/t10-;;/m1../s1.
What are the key properties of 2-[(1R)-1-amino-2-methylpropyl]-4-fluoroaniline;dihydrochloride?
2-[(1R)-1-amino-2-methylpropyl]-4-fluoroaniline;dihydrochloride has a molecular weight of 255.16 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-2-methylpropyl]-4-fluoroaniline;dihydrochloride is sourced from PubChem (CID 162344478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).