N-[(1R)-1-(3,5-difluorophenyl)ethyl]propan-2-amine

C11H15F2N — CID 97051252

IUPACN-[(1R)-1-(3,5-difluorophenyl)ethyl]propan-2-amine
SMILESCC(C)N[C@H](C)c1cc(F)cc(F)c1
InChIInChI=1S/C11H15F2N/c1-7(2)14-8(3)9-4-10(12)6-11(13)5-9/h4-8,14H,1-3H3/t8-/m1/s1
InChIKeyAFXCUDANHGVZNH-MRVPVSSYSA-N
MW199.24 g/mol
LogP3.02
Rot. Bonds3

About N-[(1R)-1-(3,5-difluorophenyl)ethyl]propan-2-amine

N-[(1R)-1-(3,5-difluorophenyl)ethyl]propan-2-amine (PubChem CID 97051252) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is N-[(1R)-1-(3,5-difluorophenyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3,5-difluorophenyl)ethyl]propan-2-amine
PubChem CID97051252
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC NameN-[(1R)-1-(3,5-difluorophenyl)ethyl]propan-2-amine
SMILESCC(C)N[C@H](C)c1cc(F)cc(F)c1
InChIInChI=1S/C11H15F2N/c1-7(2)14-8(3)9-4-10(12)6-11(13)5-9/h4-8,14H,1-3H3/t8-/m1/s1
InChIKeyAFXCUDANHGVZNH-MRVPVSSYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3,5-difluorophenyl)ethyl]but-3-yn-2-amine
CID 114415397
ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 170709234
(1S)-1-(4-chlorophenyl)-N-[1-(3,5-difluorophenyl)ethyl]ethanamine
CID 81352116
1-(3,5-difluorophenyl)-N-methoxyethanamine
CID 82706905
N-[1-(4-chloro-3-fluorophenyl)ethyl]propan-2-amine
CID 59146352
N-[1-(3,5-difluorophenyl)ethyl]hex-5-yn-3-amine
CID 113262094
1-(3,5-difluorophenyl)-N-propan-2-ylpentan-1-amine
CID 79411536
N-[1-(3,5-difluorophenyl)ethyl]but-2-yn-1-amine
CID 115897018
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-methylpentan-3-amine
CID 134331308
(1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81368634
N-[(1S)-1-(3,5-difluorophenyl)ethyl]prop-2-enamide
CID 167781770

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,5-difluorophenyl)ethyl]propan-2-amine?
The IUPAC name of N-[(1R)-1-(3,5-difluorophenyl)ethyl]propan-2-amine (CID 97051252) is N-[(1R)-1-(3,5-difluorophenyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[(1R)-1-(3,5-difluorophenyl)ethyl]propan-2-amine?
The canonical SMILES for N-[(1R)-1-(3,5-difluorophenyl)ethyl]propan-2-amine is CC(C)N[C@H](C)c1cc(F)cc(F)c1.
What is the InChIKey of N-[(1R)-1-(3,5-difluorophenyl)ethyl]propan-2-amine?
The InChIKey is AFXCUDANHGVZNH-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-7(2)14-8(3)9-4-10(12)6-11(13)5-9/h4-8,14H,1-3H3/t8-/m1/s1.
What are the key properties of N-[(1R)-1-(3,5-difluorophenyl)ethyl]propan-2-amine?
N-[(1R)-1-(3,5-difluorophenyl)ethyl]propan-2-amine has a molecular weight of 199.24 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,5-difluorophenyl)ethyl]propan-2-amine is sourced from PubChem (CID 97051252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).