5-(1-amino-2-methylpropyl)-2-fluoroaniline

C10H15FN2 — CID 55283419

IUPAC5-(1-amino-2-methylpropyl)-2-fluoroaniline
SMILESCC(C)C(N)c1ccc(F)c(N)c1
InChIInChI=1S/C10H15FN2/c1-6(2)10(13)7-3-4-8(11)9(12)5-7/h3-6,10H,12-13H2,1-2H3
InChIKeyJFXJZBDCMPPTOP-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.06
Rot. Bonds2

About 5-(1-amino-2-methylpropyl)-2-fluoroaniline

5-(1-amino-2-methylpropyl)-2-fluoroaniline (PubChem CID 55283419) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 5-(1-amino-2-methylpropyl)-2-fluoroaniline.

Molecular Properties

Compound Name5-(1-amino-2-methylpropyl)-2-fluoroaniline
PubChem CID55283419
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name5-(1-amino-2-methylpropyl)-2-fluoroaniline
SMILESCC(C)C(N)c1ccc(F)c(N)c1
InChIInChI=1S/C10H15FN2/c1-6(2)10(13)7-3-4-8(11)9(12)5-7/h3-6,10H,12-13H2,1-2H3
InChIKeyJFXJZBDCMPPTOP-UHFFFAOYSA-N
XLogP2.06
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.06
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

(1S)-1-(4-bromo-3-fluorophenyl)-2-methylpropan-1-amine
CID 131093458
(1S)-1-(3-amino-4-fluorophenyl)ethanol
CID 70331602
(1S,2S)-2-amino-1-(3-amino-4-fluorophenyl)butan-1-ol
CID 131049371
4-(1-amino-2-methylpropyl)-2-chloroaniline
CID 55271979
(1S)-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 7129632
(2R)-2-amino-2-(3-amino-4-fluorophenyl)ethanol
CID 66513607
(1R)-1-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride
CID 45072381
(3-amino-4-fluorophenyl)-methoxymethanol
CID 123185481
4-(1-amino-2-methylpropyl)aniline
CID 55283645
(1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine
CID 124654147
(1S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol
CID 131002091
(1R,2S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol
CID 55272052

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-methylpropyl)-2-fluoroaniline?
The IUPAC name of 5-(1-amino-2-methylpropyl)-2-fluoroaniline (CID 55283419) is 5-(1-amino-2-methylpropyl)-2-fluoroaniline.
What is the SMILES notation for 5-(1-amino-2-methylpropyl)-2-fluoroaniline?
The canonical SMILES for 5-(1-amino-2-methylpropyl)-2-fluoroaniline is CC(C)C(N)c1ccc(F)c(N)c1.
What is the InChIKey of 5-(1-amino-2-methylpropyl)-2-fluoroaniline?
The InChIKey is JFXJZBDCMPPTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-6(2)10(13)7-3-4-8(11)9(12)5-7/h3-6,10H,12-13H2,1-2H3.
What are the key properties of 5-(1-amino-2-methylpropyl)-2-fluoroaniline?
5-(1-amino-2-methylpropyl)-2-fluoroaniline has a molecular weight of 182.24 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-methylpropyl)-2-fluoroaniline is sourced from PubChem (CID 55283419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).