N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-methylpentan-3-amine

C14H21F2N — CID 134331308

IUPACN-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-methylpentan-3-amine
SMILESCCC(C)(CC)N[C@@H](C)c1cc(F)cc(F)c1
InChIInChI=1S/C14H21F2N/c1-5-14(4,6-2)17-10(3)11-7-12(15)9-13(16)8-11/h7-10,17H,5-6H2,1-4H3/t10-/m0/s1
InChIKeyMDRJUNCTSOUKTN-JTQLQIEISA-N
MW241.32 g/mol
LogP4.19
Rot. Bonds5

About N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-methylpentan-3-amine

N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-methylpentan-3-amine (PubChem CID 134331308) has the molecular formula C14H21F2N and a molecular weight of 241.32 g/mol. Its IUPAC name is N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-methylpentan-3-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-methylpentan-3-amine
PubChem CID134331308
Molecular FormulaC14H21F2N
Molecular Weight241.32 g/mol
Exact Mass241.16
IUPAC NameN-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-methylpentan-3-amine
SMILESCCC(C)(CC)N[C@@H](C)c1cc(F)cc(F)c1
InChIInChI=1S/C14H21F2N/c1-5-14(4,6-2)17-10(3)11-7-12(15)9-13(16)8-11/h7-10,17H,5-6H2,1-4H3/t10-/m0/s1
InChIKeyMDRJUNCTSOUKTN-JTQLQIEISA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylbutan-2-amine
CID 115919226
3-methyl-N-(1-thiophen-3-ylethyl)pentan-3-amine
CID 115920356
N-[(1R)-1-(3,5-difluorophenyl)ethyl]propan-2-amine
CID 97051252
1-(3,5-difluorophenyl)-N-methoxyethanamine
CID 82706905
1,3-difluoro-5-(4-methylhexan-3-yl)benzene
CID 91575659
1-(2,2-dimethylpentan-3-yl)-3,5-difluorobenzene
CID 58063354
N-[1-(3,5-difluorophenyl)ethyl]but-2-yn-1-amine
CID 115897018
1-(3,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 115851763
2-ethyl-2-[1-(4-fluorophenyl)ethylamino]propane-1,3-diol
CID 103935636
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylpentan-2-amine
CID 115920023
[1-(3-fluoro-5-methylphenyl)-2,2-dimethylbutyl]hydrazine
CID 105325387
2-ethoxy-1-(3-fluoro-5-methylphenyl)-N,2-dimethylbutan-1-amine
CID 116758965

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-methylpentan-3-amine?
The IUPAC name of N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-methylpentan-3-amine (CID 134331308) is N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-methylpentan-3-amine.
What is the SMILES notation for N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-methylpentan-3-amine?
The canonical SMILES for N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-methylpentan-3-amine is CCC(C)(CC)N[C@@H](C)c1cc(F)cc(F)c1.
What is the InChIKey of N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-methylpentan-3-amine?
The InChIKey is MDRJUNCTSOUKTN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21F2N/c1-5-14(4,6-2)17-10(3)11-7-12(15)9-13(16)8-11/h7-10,17H,5-6H2,1-4H3/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-methylpentan-3-amine?
N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-methylpentan-3-amine has a molecular weight of 241.32 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-methylpentan-3-amine is sourced from PubChem (CID 134331308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).