1-(3,5-difluorophenyl)-3-ethoxy-N-methylpentan-2-amine

C14H21F2NO — CID 105406994

IUPAC1-(3,5-difluorophenyl)-3-ethoxy-N-methylpentan-2-amine
SMILESCCOC(CC)C(Cc1cc(F)cc(F)c1)NC
InChIInChI=1S/C14H21F2NO/c1-4-14(18-5-2)13(17-3)8-10-6-11(15)9-12(16)7-10/h6-7,9,13-14,17H,4-5,8H2,1-3H3
InChIKeyKWTNGKGDXNHSAV-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.91
Rot. Bonds7

About 1-(3,5-difluorophenyl)-3-ethoxy-N-methylpentan-2-amine

1-(3,5-difluorophenyl)-3-ethoxy-N-methylpentan-2-amine (PubChem CID 105406994) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-ethoxy-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-ethoxy-N-methylpentan-2-amine
PubChem CID105406994
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name1-(3,5-difluorophenyl)-3-ethoxy-N-methylpentan-2-amine
SMILESCCOC(CC)C(Cc1cc(F)cc(F)c1)NC
InChIInChI=1S/C14H21F2NO/c1-4-14(18-5-2)13(17-3)8-10-6-11(15)9-12(16)7-10/h6-7,9,13-14,17H,4-5,8H2,1-3H3
InChIKeyKWTNGKGDXNHSAV-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-difluorophenyl)-1,1-diethoxy-N-methylpropan-2-amine
CID 105406605
3-ethoxy-N-methyl-1-pyridin-4-ylpentan-2-amine
CID 116716532
1-(3,5-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 105406993
1-(3,5-difluorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 79444981
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-bromo-5-fluorophenyl)-N,2-dimethylpentan-3-amine
CID 79702857
1-(3,5-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 105406084
1-(2,5-difluorophenyl)-3-ethoxy-N-ethylpentan-2-amine
CID 116716823
[1-(2,5-difluorophenyl)-3-ethoxypentan-2-yl]hydrazine
CID 105270973
[1-(3,5-difluorophenyl)-3-ethoxypropan-2-yl]hydrazine
CID 105206665
1-(5-chloro-2-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine
CID 103049120

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-ethoxy-N-methylpentan-2-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-3-ethoxy-N-methylpentan-2-amine (CID 105406994) is 1-(3,5-difluorophenyl)-3-ethoxy-N-methylpentan-2-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-ethoxy-N-methylpentan-2-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-ethoxy-N-methylpentan-2-amine is CCOC(CC)C(Cc1cc(F)cc(F)c1)NC.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-ethoxy-N-methylpentan-2-amine?
The InChIKey is KWTNGKGDXNHSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-4-14(18-5-2)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 1-(3,5-difluorophenyl)-3-ethoxy-N-methylpentan-2-amine?
1-(3,5-difluorophenyl)-3-ethoxy-N-methylpentan-2-amine has a molecular weight of 257.32 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-ethoxy-N-methylpentan-2-amine is sourced from PubChem (CID 105406994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).