N-[1-(2,6-difluorophenyl)ethyl]-3-phenylpropan-1-amine

C17H19F2N — CID 43101828

IUPACN-[1-(2,6-difluorophenyl)ethyl]-3-phenylpropan-1-amine
SMILESCC(NCCCc1ccccc1)c1c(F)cccc1F
InChIInChI=1S/C17H19F2N/c1-13(17-15(18)10-5-11-16(17)19)20-12-6-9-14-7-3-2-4-8-14/h2-5,7-8,10-11,13,20H,6,9,12H2,1H3
InChIKeyRXUKSKCLFMVXLP-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.25
Rot. Bonds6

About N-[1-(2,6-difluorophenyl)ethyl]-3-phenylpropan-1-amine

N-[1-(2,6-difluorophenyl)ethyl]-3-phenylpropan-1-amine (PubChem CID 43101828) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]-3-phenylpropan-1-amine
PubChem CID43101828
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]-3-phenylpropan-1-amine
SMILESCC(NCCCc1ccccc1)c1c(F)cccc1F
InChIInChI=1S/C17H19F2N/c1-13(17-15(18)10-5-11-16(17)19)20-12-6-9-14-7-3-2-4-8-14/h2-5,7-8,10-11,13,20H,6,9,12H2,1H3
InChIKeyRXUKSKCLFMVXLP-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[1-(2,6-difluorophenyl)ethyl]-3-phenylpropan-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

3-methyl-2-[1-(3-phenylpropylamino)ethyl]benzenethiol;hydrochloride
CID 140973332
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254
1-(2-fluorophenyl)-N-(3-phenylpropyl)propan-2-amine
CID 115592301
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
5-[1-(2,6-difluorophenyl)ethylamino]-2-methylpentan-1-ol
CID 103905568
N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]methanesulfonamide
CID 103776626
N-[1-(2,6-difluorophenyl)ethyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 62040022
3-phenyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 28646793
N-[(1S)-1-(3-methylphenyl)ethyl]-3-phenylpropan-1-amine
CID 81363177
N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride
CID 175678820
3-phenyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
CID 43767139
N-[1-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43206853

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-3-phenylpropan-1-amine?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-3-phenylpropan-1-amine (CID 43101828) is N-[1-(2,6-difluorophenyl)ethyl]-3-phenylpropan-1-amine.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]-3-phenylpropan-1-amine?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]-3-phenylpropan-1-amine is CC(NCCCc1ccccc1)c1c(F)cccc1F.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]-3-phenylpropan-1-amine?
The InChIKey is RXUKSKCLFMVXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-13(17-15(18)10-5-11-16(17)19)20-12-6-9-14-7-3-2-4-8-14/h2-5,7-8,10-11,13,20H,6,9,12H2,1H3.
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]-3-phenylpropan-1-amine?
N-[1-(2,6-difluorophenyl)ethyl]-3-phenylpropan-1-amine has a molecular weight of 275.34 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)ethyl]-3-phenylpropan-1-amine is sourced from PubChem (CID 43101828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).