3-(3,5-difluorophenyl)-1,1-diethoxy-N-methylpropan-2-amine

C14H21F2NO2 — CID 105406605

IUPAC3-(3,5-difluorophenyl)-1,1-diethoxy-N-methylpropan-2-amine
SMILESCCOC(OCC)C(Cc1cc(F)cc(F)c1)NC
InChIInChI=1S/C14H21F2NO2/c1-4-18-14(19-5-2)13(17-3)8-10-6-11(15)9-12(16)7-10/h6-7,9,13-14,17H,4-5,8H2,1-3H3
InChIKeyNQVSDYFFJUZMFB-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.49
Rot. Bonds8

About 3-(3,5-difluorophenyl)-1,1-diethoxy-N-methylpropan-2-amine

3-(3,5-difluorophenyl)-1,1-diethoxy-N-methylpropan-2-amine (PubChem CID 105406605) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-1,1-diethoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-1,1-diethoxy-N-methylpropan-2-amine
PubChem CID105406605
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Name3-(3,5-difluorophenyl)-1,1-diethoxy-N-methylpropan-2-amine
SMILESCCOC(OCC)C(Cc1cc(F)cc(F)c1)NC
InChIInChI=1S/C14H21F2NO2/c1-4-18-14(19-5-2)13(17-3)8-10-6-11(15)9-12(16)7-10/h6-7,9,13-14,17H,4-5,8H2,1-3H3
InChIKeyNQVSDYFFJUZMFB-UHFFFAOYSA-N
XLogP2.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-difluorophenyl)-3-ethoxy-N-methylpentan-2-amine
CID 105406994
3-(3-chloro-4-fluorophenyl)-1,1-diethoxy-N-methylpropan-2-amine
CID 103040261
3-ethoxy-1-(3-fluorophenyl)-N-methylbutan-2-amine
CID 64532588
[1-cyclopropyl-3-(3,5-difluorophenyl)-1-ethoxypropan-2-yl]hydrazine
CID 105413016
1-(3,5-difluorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 79444981
1,1,3-triethoxy-N-methylpropan-2-amine
CID 79570224
[1-(3,5-difluorophenyl)-3-ethoxypropan-2-yl]hydrazine
CID 105206665
1-(3-bromo-5-fluorophenyl)-N,2-dimethylpentan-3-amine
CID 79702857
1-(3,5-difluorophenyl)-2,2-diethoxyethanol
CID 79496044
(2S)-1-(3,5-difluorophenyl)-2-(methylamino)pentan-3-one
CID 58998587
[1-(3,5-difluorophenyl)-3-methoxybutan-2-yl]hydrazine
CID 105412950
1-(3,5-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 105406084

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-1,1-diethoxy-N-methylpropan-2-amine?
The IUPAC name of 3-(3,5-difluorophenyl)-1,1-diethoxy-N-methylpropan-2-amine (CID 105406605) is 3-(3,5-difluorophenyl)-1,1-diethoxy-N-methylpropan-2-amine.
What is the SMILES notation for 3-(3,5-difluorophenyl)-1,1-diethoxy-N-methylpropan-2-amine?
The canonical SMILES for 3-(3,5-difluorophenyl)-1,1-diethoxy-N-methylpropan-2-amine is CCOC(OCC)C(Cc1cc(F)cc(F)c1)NC.
What is the InChIKey of 3-(3,5-difluorophenyl)-1,1-diethoxy-N-methylpropan-2-amine?
The InChIKey is NQVSDYFFJUZMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-4-18-14(19-5-2)13(17-3)8-10-6-11(15)9-12(16)7-10/h6-7,9,13-14,17H,4-5,8H2,1-3H3.
What are the key properties of 3-(3,5-difluorophenyl)-1,1-diethoxy-N-methylpropan-2-amine?
3-(3,5-difluorophenyl)-1,1-diethoxy-N-methylpropan-2-amine has a molecular weight of 273.32 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-1,1-diethoxy-N-methylpropan-2-amine is sourced from PubChem (CID 105406605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).