N,2-diethyl-1-(2-fluorophenyl)-2-methoxybutan-1-amine

C15H24FNO — CID 116761268

IUPACN,2-diethyl-1-(2-fluorophenyl)-2-methoxybutan-1-amine
SMILESCCNC(c1ccccc1F)C(CC)(CC)OC
InChIInChI=1S/C15H24FNO/c1-5-15(6-2,18-4)14(17-7-3)12-10-8-9-11-13(12)16/h8-11,14,17H,5-7H2,1-4H3
InChIKeyFRLPIEUOJPRJFT-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.68
Rot. Bonds7

About N,2-diethyl-1-(2-fluorophenyl)-2-methoxybutan-1-amine

N,2-diethyl-1-(2-fluorophenyl)-2-methoxybutan-1-amine (PubChem CID 116761268) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is N,2-diethyl-1-(2-fluorophenyl)-2-methoxybutan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-1-(2-fluorophenyl)-2-methoxybutan-1-amine
PubChem CID116761268
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC NameN,2-diethyl-1-(2-fluorophenyl)-2-methoxybutan-1-amine
SMILESCCNC(c1ccccc1F)C(CC)(CC)OC
InChIInChI=1S/C15H24FNO/c1-5-15(6-2,18-4)14(17-7-3)12-10-8-9-11-13(12)16/h8-11,14,17H,5-7H2,1-4H3
InChIKeyFRLPIEUOJPRJFT-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxyphenyl)-N,2-diethyl-2-methoxybutan-1-amine
CID 116761098
2-ethoxy-2-ethyl-1-(2-fluorophenyl)-N-propylbutan-1-amine
CID 116760420
1-(2,3-difluorophenyl)-2-ethoxy-N,2-diethylbutan-1-amine
CID 116760247
N-ethyl-1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 115827881
N,2-diethyl-2-methoxy-1-naphthalen-2-ylbutan-1-amine
CID 116761218
1-(2-fluorophenyl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 79197204
N,2-diethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708571
1-(4-ethoxyphenyl)-N,2-diethyl-2-methoxybutan-1-amine
CID 116761096
N,2-diethyl-1-(2-fluoro-4,6-dimethylphenyl)-2-methoxybutan-1-amine
CID 106882034
1-(3,4-dihydro-2H-chromen-8-yl)-N,2-diethyl-2-methoxybutan-1-amine
CID 114746271
2-ethyl-2-methoxy-N-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 116760777
N-ethyl-1-(2-fluorophenyl)-2-methoxy-2-phenylethanamine
CID 116773160

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-1-(2-fluorophenyl)-2-methoxybutan-1-amine?
The IUPAC name of N,2-diethyl-1-(2-fluorophenyl)-2-methoxybutan-1-amine (CID 116761268) is N,2-diethyl-1-(2-fluorophenyl)-2-methoxybutan-1-amine.
What is the SMILES notation for N,2-diethyl-1-(2-fluorophenyl)-2-methoxybutan-1-amine?
The canonical SMILES for N,2-diethyl-1-(2-fluorophenyl)-2-methoxybutan-1-amine is CCNC(c1ccccc1F)C(CC)(CC)OC.
What is the InChIKey of N,2-diethyl-1-(2-fluorophenyl)-2-methoxybutan-1-amine?
The InChIKey is FRLPIEUOJPRJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-5-15(6-2,18-4)14(17-7-3)12-10-8-9-11-13(12)16/h8-11,14,17H,5-7H2,1-4H3.
What are the key properties of N,2-diethyl-1-(2-fluorophenyl)-2-methoxybutan-1-amine?
N,2-diethyl-1-(2-fluorophenyl)-2-methoxybutan-1-amine has a molecular weight of 253.36 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-1-(2-fluorophenyl)-2-methoxybutan-1-amine is sourced from PubChem (CID 116761268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).