2-(1-amino-2-methyl-3-phenylpropan-2-yl)-4-fluoroaniline

C16H19FN2 — CID 117048235

IUPAC2-(1-amino-2-methyl-3-phenylpropan-2-yl)-4-fluoroaniline
SMILESCC(CN)(Cc1ccccc1)c1cc(F)ccc1N
InChIInChI=1S/C16H19FN2/c1-16(11-18,10-12-5-3-2-4-6-12)14-9-13(17)7-8-15(14)19/h2-9H,10-11,18-19H2,1H3
InChIKeyXXNUAQAQFJRMJL-UHFFFAOYSA-N
MW258.34 g/mol
LogP2.87
Rot. Bonds4

About 2-(1-amino-2-methyl-3-phenylpropan-2-yl)-4-fluoroaniline

2-(1-amino-2-methyl-3-phenylpropan-2-yl)-4-fluoroaniline (PubChem CID 117048235) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-(1-amino-2-methyl-3-phenylpropan-2-yl)-4-fluoroaniline.

Molecular Properties

Compound Name2-(1-amino-2-methyl-3-phenylpropan-2-yl)-4-fluoroaniline
PubChem CID117048235
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name2-(1-amino-2-methyl-3-phenylpropan-2-yl)-4-fluoroaniline
SMILESCC(CN)(Cc1ccccc1)c1cc(F)ccc1N
InChIInChI=1S/C16H19FN2/c1-16(11-18,10-12-5-3-2-4-6-12)14-9-13(17)7-8-15(14)19/h2-9H,10-11,18-19H2,1H3
InChIKeyXXNUAQAQFJRMJL-UHFFFAOYSA-N
XLogP2.87
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 52.87
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

o-Tolidine
CID 8413
2-Aminobiphenyl
CID 7015
4,4'-Diamino-3,3'-dimethyldiphenylmethane
CID 13283
3,3'-Dimethylbenzidine dihydrochloride
CID 108938
2,4'-Biphenyldiamine
CID 10292
4'-Fluoro(1,1'-biphenyl)-4-amine
CID 9462
(R)-6,6'-Dimethyl-1,1'-biphenyl-2,2'-diyldiamine
CID 882241
2-Biphenylamine hydrochloride
CID 5284347
2,2'-Biphenyldiamine
CID 15075
2-tert-Butylaniline
CID 80574
2-(4-Aminobenzyl)aniline
CID 14580
3,4,5-Trifluoro-2'-aminobiphenyl
CID 44249263

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methyl-3-phenylpropan-2-yl)-4-fluoroaniline?
The IUPAC name of 2-(1-amino-2-methyl-3-phenylpropan-2-yl)-4-fluoroaniline (CID 117048235) is 2-(1-amino-2-methyl-3-phenylpropan-2-yl)-4-fluoroaniline.
What is the SMILES notation for 2-(1-amino-2-methyl-3-phenylpropan-2-yl)-4-fluoroaniline?
The canonical SMILES for 2-(1-amino-2-methyl-3-phenylpropan-2-yl)-4-fluoroaniline is CC(CN)(Cc1ccccc1)c1cc(F)ccc1N.
What is the InChIKey of 2-(1-amino-2-methyl-3-phenylpropan-2-yl)-4-fluoroaniline?
The InChIKey is XXNUAQAQFJRMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-16(11-18,10-12-5-3-2-4-6-12)14-9-13(17)7-8-15(14)19/h2-9H,10-11,18-19H2,1H3.
What are the key properties of 2-(1-amino-2-methyl-3-phenylpropan-2-yl)-4-fluoroaniline?
2-(1-amino-2-methyl-3-phenylpropan-2-yl)-4-fluoroaniline has a molecular weight of 258.34 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methyl-3-phenylpropan-2-yl)-4-fluoroaniline is sourced from PubChem (CID 117048235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).