1-(2-fluoro-5-propan-2-ylphenyl)propan-2-amine

C12H18FN — CID 117285738

IUPAC1-(2-fluoro-5-propan-2-ylphenyl)propan-2-amine
SMILESCC(N)Cc1cc(C(C)C)ccc1F
InChIInChI=1S/C12H18FN/c1-8(2)10-4-5-12(13)11(7-10)6-9(3)14/h4-5,7-9H,6,14H2,1-3H3
InChIKeyMRHLOWFFSXECFV-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.84
Rot. Bonds3

About 1-(2-fluoro-5-propan-2-ylphenyl)propan-2-amine

1-(2-fluoro-5-propan-2-ylphenyl)propan-2-amine (PubChem CID 117285738) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 1-(2-fluoro-5-propan-2-ylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-fluoro-5-propan-2-ylphenyl)propan-2-amine
PubChem CID117285738
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name1-(2-fluoro-5-propan-2-ylphenyl)propan-2-amine
SMILESCC(N)Cc1cc(C(C)C)ccc1F
InChIInChI=1S/C12H18FN/c1-8(2)10-4-5-12(13)11(7-10)6-9(3)14/h4-5,7-9H,6,14H2,1-3H3
InChIKeyMRHLOWFFSXECFV-UHFFFAOYSA-N
XLogP2.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-fluoro-5-propan-2-ylphenyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-amine
CID 117291412
2-(2-aminopropyl)-N,N-dimethyl-4-propan-2-ylaniline
CID 117111334
3-(2-fluoro-5-propan-2-ylphenyl)propan-1-ol
CID 117286425
1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-ol
CID 117292369
1,2-difluoro-4-propan-2-ylbenzene;propane
CID 143774679
[2-(2,5-difluorophenyl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105194039
1-(3-ethyl-4-fluorophenyl)propan-2-amine
CID 117278913
1-(2-fluoro-5-propan-2-ylphenyl)-3-methylbutan-1-amine
CID 83988506
1-(5-chloro-2,4-difluorophenyl)propan-2-amine
CID 117294361
1-(2-bromo-3,4-difluorophenyl)propan-2-amine
CID 117378215
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
(2S)-1-(2-bromo-3,4-difluorophenyl)propan-2-amine
CID 130658227

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-propan-2-ylphenyl)propan-2-amine?
The IUPAC name of 1-(2-fluoro-5-propan-2-ylphenyl)propan-2-amine (CID 117285738) is 1-(2-fluoro-5-propan-2-ylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-fluoro-5-propan-2-ylphenyl)propan-2-amine?
The canonical SMILES for 1-(2-fluoro-5-propan-2-ylphenyl)propan-2-amine is CC(N)Cc1cc(C(C)C)ccc1F.
What is the InChIKey of 1-(2-fluoro-5-propan-2-ylphenyl)propan-2-amine?
The InChIKey is MRHLOWFFSXECFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-8(2)10-4-5-12(13)11(7-10)6-9(3)14/h4-5,7-9H,6,14H2,1-3H3.
What are the key properties of 1-(2-fluoro-5-propan-2-ylphenyl)propan-2-amine?
1-(2-fluoro-5-propan-2-ylphenyl)propan-2-amine has a molecular weight of 195.28 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-propan-2-ylphenyl)propan-2-amine is sourced from PubChem (CID 117285738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).