N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methylprop-2-en-1-amine

C12H15F2N — CID 97358724

IUPACN-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CN[C@H](C)c1ccc(F)cc1F
InChIInChI=1S/C12H15F2N/c1-8(2)7-15-9(3)11-5-4-10(13)6-12(11)14/h4-6,9,15H,1,7H2,2-3H3/t9-/m1/s1
InChIKeyNHJDRZNOIFYIQP-SECBINFHSA-N
MW211.25 g/mol
LogP3.19
Rot. Bonds4

About N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methylprop-2-en-1-amine

N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methylprop-2-en-1-amine (PubChem CID 97358724) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methylprop-2-en-1-amine
PubChem CID97358724
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC NameN-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CN[C@H](C)c1ccc(F)cc1F
InChIInChI=1S/C12H15F2N/c1-8(2)7-15-9(3)11-5-4-10(13)6-12(11)14/h4-6,9,15H,1,7H2,2-3H3/t9-/m1/s1
InChIKeyNHJDRZNOIFYIQP-SECBINFHSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methylprop-2-en-1-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

(2S)-1-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082006
(2R)-1-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082005
2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]prop-2-en-1-amine
CID 115891014
N-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 97334215
2-[1-(2,4-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 115573568
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(methylcarbamoyl)acetamide
CID 8711015
2-[1-(2,4-difluorophenyl)ethylamino]-N-propylacetamide
CID 43401006
1-(2,4-difluorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 43221741
4-[1-(2,4-difluorophenyl)ethylamino]-3-methylbutan-1-ol
CID 66092240
N-[1-(2,4-difluorophenyl)ethyl]but-3-en-1-amine
CID 115899500
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-phenylacetamide
CID 9369815

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methylprop-2-en-1-amine?
The IUPAC name of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methylprop-2-en-1-amine (CID 97358724) is N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methylprop-2-en-1-amine is C=C(C)CN[C@H](C)c1ccc(F)cc1F.
What is the InChIKey of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methylprop-2-en-1-amine?
The InChIKey is NHJDRZNOIFYIQP-SECBINFHSA-N. The full InChI is InChI=1S/C12H15F2N/c1-8(2)7-15-9(3)11-5-4-10(13)6-12(11)14/h4-6,9,15H,1,7H2,2-3H3/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methylprop-2-en-1-amine?
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methylprop-2-en-1-amine has a molecular weight of 211.25 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 97358724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).