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

C14H21F2NO2 — CID 43206853

IUPACN-[1-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCCNC(C)c1c(F)cccc1F
InChIInChI=1S/C14H21F2NO2/c1-11(14-12(15)5-3-6-13(14)16)17-7-4-8-19-10-9-18-2/h3,5-6,11,17H,4,7-10H2,1-2H3
InChIKeyUCCLSEKOBFWOMP-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.67
Rot. Bonds9

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

N-[1-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine (PubChem CID 43206853) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
PubChem CID43206853
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCCNC(C)c1c(F)cccc1F
InChIInChI=1S/C14H21F2NO2/c1-11(14-12(15)5-3-6-13(14)16)17-7-4-8-19-10-9-18-2/h3,5-6,11,17H,4,7-10H2,1-2H3
InChIKeyUCCLSEKOBFWOMP-UHFFFAOYSA-N
XLogP2.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28720966
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-4-methoxybutan-1-amine
CID 112700153
3-(2-methoxyethoxy)-N-[1-(3-methylphenyl)ethyl]propan-1-amine
CID 43770898
N-[1-(2-fluorophenyl)ethyl]-3-methoxypropan-1-amine
CID 43205059
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28721510
3-(2-methoxyethoxy)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 28720895
3-(2-methoxyethoxy)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
CID 28720883
N-(2-but-3-enoxyethyl)-1-(2,6-difluorophenyl)ethanamine
CID 113338705
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254
1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 102928630
N-[1-(2,6-difluorophenyl)ethyl]-3-phenylpropan-1-amine
CID 43101828
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115715357

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine (CID 43206853) is N-[1-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine is COCCOCCCNC(C)c1c(F)cccc1F.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine?
The InChIKey is UCCLSEKOBFWOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-11(14-12(15)5-3-6-13(14)16)17-7-4-8-19-10-9-18-2/h3,5-6,11,17H,4,7-10H2,1-2H3.
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine?
N-[1-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine has a molecular weight of 273.32 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine is sourced from PubChem (CID 43206853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).