3-ethoxy-N-ethyl-1-(3-fluorophenyl)-3-methylpentan-2-amine

C16H26FNO — CID 116759095

IUPAC3-ethoxy-N-ethyl-1-(3-fluorophenyl)-3-methylpentan-2-amine
SMILESCCNC(Cc1cccc(F)c1)C(C)(CC)OCC
InChIInChI=1S/C16H26FNO/c1-5-16(4,19-7-3)15(18-6-2)12-13-9-8-10-14(17)11-13/h8-11,15,18H,5-7,12H2,1-4H3
InChIKeyUBXPTKWVTDLFIN-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.55
Rot. Bonds8

About 3-ethoxy-N-ethyl-1-(3-fluorophenyl)-3-methylpentan-2-amine

3-ethoxy-N-ethyl-1-(3-fluorophenyl)-3-methylpentan-2-amine (PubChem CID 116759095) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 3-ethoxy-N-ethyl-1-(3-fluorophenyl)-3-methylpentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-N-ethyl-1-(3-fluorophenyl)-3-methylpentan-2-amine
PubChem CID116759095
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name3-ethoxy-N-ethyl-1-(3-fluorophenyl)-3-methylpentan-2-amine
SMILESCCNC(Cc1cccc(F)c1)C(C)(CC)OCC
InChIInChI=1S/C16H26FNO/c1-5-16(4,19-7-3)15(18-6-2)12-13-9-8-10-14(17)11-13/h8-11,15,18H,5-7,12H2,1-4H3
InChIKeyUBXPTKWVTDLFIN-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-3-ethoxy-N-ethyl-3-methylpentan-2-amine
CID 116759063
2-N,3-N,3-N-triethyl-1-(3-fluorophenyl)-3-methylpentane-2,3-diamine
CID 79058314
3-ethoxy-N-ethyl-3-methyl-1-(4-methylphenyl)pentan-2-amine
CID 116759088
1-(3,5-difluorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
CID 105407062
3-ethoxy-3-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine
CID 116759415
[3-ethoxy-3-methyl-1-(3-methylphenyl)pentan-2-yl]hydrazine
CID 105274721
4-[3-ethoxy-2-(ethylamino)-3-methylpentyl]pyridin-2-amine
CID 116759232
1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-ethyl-3-methylpentan-2-amine
CID 116759011
[1-(3-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
CID 105286476
N-ethyl-1-(3-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 79052240
2-ethoxy-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 114940815
1-(3,4-difluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine
CID 116760137

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-ethyl-1-(3-fluorophenyl)-3-methylpentan-2-amine?
The IUPAC name of 3-ethoxy-N-ethyl-1-(3-fluorophenyl)-3-methylpentan-2-amine (CID 116759095) is 3-ethoxy-N-ethyl-1-(3-fluorophenyl)-3-methylpentan-2-amine.
What is the SMILES notation for 3-ethoxy-N-ethyl-1-(3-fluorophenyl)-3-methylpentan-2-amine?
The canonical SMILES for 3-ethoxy-N-ethyl-1-(3-fluorophenyl)-3-methylpentan-2-amine is CCNC(Cc1cccc(F)c1)C(C)(CC)OCC.
What is the InChIKey of 3-ethoxy-N-ethyl-1-(3-fluorophenyl)-3-methylpentan-2-amine?
The InChIKey is UBXPTKWVTDLFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-5-16(4,19-7-3)15(18-6-2)12-13-9-8-10-14(17)11-13/h8-11,15,18H,5-7,12H2,1-4H3.
What are the key properties of 3-ethoxy-N-ethyl-1-(3-fluorophenyl)-3-methylpentan-2-amine?
3-ethoxy-N-ethyl-1-(3-fluorophenyl)-3-methylpentan-2-amine has a molecular weight of 267.39 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-ethyl-1-(3-fluorophenyl)-3-methylpentan-2-amine is sourced from PubChem (CID 116759095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).