2-aminopropanal;1-(4-fluorophenyl)-N,2-dimethylpropan-2-amine

C14H23FN2O — CID 163242539

IUPAC2-aminopropanal;1-(4-fluorophenyl)-N,2-dimethylpropan-2-amine
SMILESCC(N)C=O.CNC(C)(C)Cc1ccc(F)cc1
InChIInChI=1S/C11H16FN.C3H7NO/c1-11(2,13-3)8-9-4-6-10(12)7-5-9;1-3(4)2-5/h4-7,13H,8H2,1-3H3;2-3H,4H2,1H3
InChIKeyGYMCKSKRMHLYFY-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.90
Rot. Bonds4

About 2-aminopropanal;1-(4-fluorophenyl)-N,2-dimethylpropan-2-amine

2-aminopropanal;1-(4-fluorophenyl)-N,2-dimethylpropan-2-amine (PubChem CID 163242539) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-aminopropanal;1-(4-fluorophenyl)-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound Name2-aminopropanal;1-(4-fluorophenyl)-N,2-dimethylpropan-2-amine
PubChem CID163242539
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name2-aminopropanal;1-(4-fluorophenyl)-N,2-dimethylpropan-2-amine
SMILESCC(N)C=O.CNC(C)(C)Cc1ccc(F)cc1
InChIInChI=1S/C11H16FN.C3H7NO/c1-11(2,13-3)8-9-4-6-10(12)7-5-9;1-3(4)2-5/h4-7,13H,8H2,1-3H3;2-3H,4H2,1H3
InChIKeyGYMCKSKRMHLYFY-UHFFFAOYSA-N
XLogP1.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)-2,2-dimethylpropanal
CID 12814764
1-fluoro-4-(2,2,3-trimethylbutyl)benzene
CID 59019242
1-(2,2-dimethyl-3-nitrosopropyl)-4-fluorobenzene
CID 54242734
1-N-[2-(4-fluorophenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222407
1-(4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 58481762
3-(4-fluorophenyl)-2-hydroxy-2-methylpropanamide
CID 114834276
1-(4-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 22597146
methyl 2-[(4-fluorophenyl)methyl]-3-oxopropanoate
CID 175668864
2-amino-N-[1-(3,4-difluorophenyl)-2-methylpropan-2-yl]propanamide
CID 118878544
(2R)-2-amino-N-[1-(4-chlorophenyl)-2-methylpropan-2-yl]propanamide
CID 163242373
4-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81034537
1-(4-ethynylphenyl)-N,2-dimethylpropan-2-amine
CID 163242484

Frequently Asked Questions

What is the IUPAC name of 2-aminopropanal;1-(4-fluorophenyl)-N,2-dimethylpropan-2-amine?
The IUPAC name of 2-aminopropanal;1-(4-fluorophenyl)-N,2-dimethylpropan-2-amine (CID 163242539) is 2-aminopropanal;1-(4-fluorophenyl)-N,2-dimethylpropan-2-amine.
What is the SMILES notation for 2-aminopropanal;1-(4-fluorophenyl)-N,2-dimethylpropan-2-amine?
The canonical SMILES for 2-aminopropanal;1-(4-fluorophenyl)-N,2-dimethylpropan-2-amine is CC(N)C=O.CNC(C)(C)Cc1ccc(F)cc1.
What is the InChIKey of 2-aminopropanal;1-(4-fluorophenyl)-N,2-dimethylpropan-2-amine?
The InChIKey is GYMCKSKRMHLYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN.C3H7NO/c1-11(2,13-3)8-9-4-6-10(12)7-5-9;1-3(4)2-5/h4-7,13H,8H2,1-3H3;2-3H,4H2,1H3.
What are the key properties of 2-aminopropanal;1-(4-fluorophenyl)-N,2-dimethylpropan-2-amine?
2-aminopropanal;1-(4-fluorophenyl)-N,2-dimethylpropan-2-amine has a molecular weight of 254.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropanal;1-(4-fluorophenyl)-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 163242539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).