2-fluoro-N-[(4-propan-2-ylphenyl)methyl]ethanamine

C12H18FN — CID 80695833

IUPAC2-fluoro-N-[(4-propan-2-ylphenyl)methyl]ethanamine
SMILESCC(C)c1ccc(CNCCF)cc1
InChIInChI=1S/C12H18FN/c1-10(2)12-5-3-11(4-6-12)9-14-8-7-13/h3-6,10,14H,7-9H2,1-2H3
InChIKeyRQJHAYDQCFECLU-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.87
Rot. Bonds5

About 2-fluoro-N-[(4-propan-2-ylphenyl)methyl]ethanamine

2-fluoro-N-[(4-propan-2-ylphenyl)methyl]ethanamine (PubChem CID 80695833) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 2-fluoro-N-[(4-propan-2-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-fluoro-N-[(4-propan-2-ylphenyl)methyl]ethanamine
PubChem CID80695833
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name2-fluoro-N-[(4-propan-2-ylphenyl)methyl]ethanamine
SMILESCC(C)c1ccc(CNCCF)cc1
InChIInChI=1S/C12H18FN/c1-10(2)12-5-3-11(4-6-12)9-14-8-7-13/h3-6,10,14H,7-9H2,1-2H3
InChIKeyRQJHAYDQCFECLU-UHFFFAOYSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-[(4-propan-2-ylphenyl)methyl]ethanamine 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

N'-[3-[(4-propan-2-ylphenyl)methylamino]propyl]butane-1,4-diamine
CID 58965144
4-iodo-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 106844555
N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine;hydrochloride
CID 17331857
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253
N-methyl-N'-[(4-propan-2-ylphenyl)methyl]methanediamine
CID 115226785
4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline
CID 115212458
4-chloro-N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 106122009
N',N'-diethyl-N-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17331877
N-[[4-(chloromethyl)phenyl]methyl]-2-fluoroethanamine
CID 107233064
1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 4723379
1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol
CID 4723365

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
The IUPAC name of 2-fluoro-N-[(4-propan-2-ylphenyl)methyl]ethanamine (CID 80695833) is 2-fluoro-N-[(4-propan-2-ylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-fluoro-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
The canonical SMILES for 2-fluoro-N-[(4-propan-2-ylphenyl)methyl]ethanamine is CC(C)c1ccc(CNCCF)cc1.
What is the InChIKey of 2-fluoro-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
The InChIKey is RQJHAYDQCFECLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-10(2)12-5-3-11(4-6-12)9-14-8-7-13/h3-6,10,14H,7-9H2,1-2H3.
What are the key properties of 2-fluoro-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
2-fluoro-N-[(4-propan-2-ylphenyl)methyl]ethanamine has a molecular weight of 195.28 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(4-propan-2-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 80695833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).