1-(3,5-difluorophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine

C14H22F2N2O — CID 106528666

IUPAC1-(3,5-difluorophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
SMILESCCOCCN(CC)C(CN)c1cc(F)cc(F)c1
InChIInChI=1S/C14H22F2N2O/c1-3-18(5-6-19-4-2)14(10-17)11-7-12(15)9-13(16)8-11/h7-9,14H,3-6,10,17H2,1-2H3
InChIKeyQVRFUTAQAOCRPV-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.32
Rot. Bonds8

About 1-(3,5-difluorophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine

1-(3,5-difluorophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine (PubChem CID 106528666) has the molecular formula C14H22F2N2O and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
PubChem CID106528666
Molecular FormulaC14H22F2N2O
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name1-(3,5-difluorophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
SMILESCCOCCN(CC)C(CN)c1cc(F)cc(F)c1
InChIInChI=1S/C14H22F2N2O/c1-3-18(5-6-19-4-2)14(10-17)11-7-12(15)9-13(16)8-11/h7-9,14H,3-6,10,17H2,1-2H3
InChIKeyQVRFUTAQAOCRPV-UHFFFAOYSA-N
XLogP2.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.32
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

1-(3-bromophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
CID 63697349
1-(3-chlorophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
CID 63695739
1-(4-chlorophenyl)-N,N-bis(2-ethoxyethyl)ethane-1,2-diamine
CID 82959955
1-(3,5-difluorophenyl)-N-[2-(dimethylamino)ethyl]-N-propylethane-1,2-diamine
CID 106528613
1-(3,5-difluorophenyl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine
CID 106528598
N-ethyl-1-(3-fluoro-4-methylphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 63647577
N,N-bis(2-methoxyethyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine
CID 63052111
N'-[2-amino-1-(3-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991412
N,N-bis(2-ethoxyethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 82965069
3-[2-ethoxyethyl(ethyl)amino]-3-phenylpropanethioamide
CID 63695799
3-N-(2-ethoxyethyl)-3-N-ethylbutane-1,3-diamine
CID 63698411
3-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-5-fluoroaniline
CID 102814011

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine (CID 106528666) is 1-(3,5-difluorophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine is CCOCCN(CC)C(CN)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine?
The InChIKey is QVRFUTAQAOCRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O/c1-3-18(5-6-19-4-2)14(10-17)11-7-12(15)9-13(16)8-11/h7-9,14H,3-6,10,17H2,1-2H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine?
1-(3,5-difluorophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine has a molecular weight of 272.34 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine is sourced from PubChem (CID 106528666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).