2-[[3-(ethylamino)-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]propan-1-ol

C16H27FN2O — CID 104554579

IUPAC2-[[3-(ethylamino)-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]propan-1-ol
SMILESCCNC(c1ccccc1F)C(C)CN(C)C(C)CO
InChIInChI=1S/C16H27FN2O/c1-5-18-16(14-8-6-7-9-15(14)17)12(2)10-19(4)13(3)11-20/h6-9,12-13,16,18,20H,5,10-11H2,1-4H3
InChIKeyBNLAQVGSKRUFCY-UHFFFAOYSA-N
MW282.40 g/mol
LogP2.42
Rot. Bonds8

About 2-[[3-(ethylamino)-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]propan-1-ol

2-[[3-(ethylamino)-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]propan-1-ol (PubChem CID 104554579) has the molecular formula C16H27FN2O and a molecular weight of 282.40 g/mol. Its IUPAC name is 2-[[3-(ethylamino)-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[3-(ethylamino)-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]propan-1-ol
PubChem CID104554579
Molecular FormulaC16H27FN2O
Molecular Weight282.40 g/mol
Exact Mass282.21
IUPAC Name2-[[3-(ethylamino)-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]propan-1-ol
SMILESCCNC(c1ccccc1F)C(C)CN(C)C(C)CO
InChIInChI=1S/C16H27FN2O/c1-5-18-16(14-8-6-7-9-15(14)17)12(2)10-19(4)13(3)11-20/h6-9,12-13,16,18,20H,5,10-11H2,1-4H3
InChIKeyBNLAQVGSKRUFCY-UHFFFAOYSA-N
XLogP2.42
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N',N'-triethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 112679791
N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-pentylpropane-1,3-diamine
CID 115996740
N'-(2-ethoxyethyl)-N-ethyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 115997007
N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 115996955
N'-(cyclopropylmethyl)-N,N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 115996957
N-ethyl-1-(2-fluorophenyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 114282092
3-(ethylamino)-4-[1-(2-fluorophenyl)ethyl-methylamino]butan-1-ol
CID 64898179
N',N'-diethyl-1-(2-fluorophenyl)-2-methyl-N-propylpropane-1,3-diamine
CID 115996675
N'-ethyl-1-(2-fluorophenyl)-N,N',2-trimethylpropane-1,3-diamine
CID 112679820
N'-ethyl-1-(2-fluorophenyl)-2-methyl-N,N'-dipropylpropane-1,3-diamine
CID 115996717
N-ethyl-N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylpropane-1,3-diamine
CID 115987569
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 105017361

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(ethylamino)-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]propan-1-ol?
The IUPAC name of 2-[[3-(ethylamino)-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]propan-1-ol (CID 104554579) is 2-[[3-(ethylamino)-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]propan-1-ol.
What is the SMILES notation for 2-[[3-(ethylamino)-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]propan-1-ol?
The canonical SMILES for 2-[[3-(ethylamino)-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]propan-1-ol is CCNC(c1ccccc1F)C(C)CN(C)C(C)CO.
What is the InChIKey of 2-[[3-(ethylamino)-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]propan-1-ol?
The InChIKey is BNLAQVGSKRUFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2O/c1-5-18-16(14-8-6-7-9-15(14)17)12(2)10-19(4)13(3)11-20/h6-9,12-13,16,18,20H,5,10-11H2,1-4H3.
What are the key properties of 2-[[3-(ethylamino)-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]propan-1-ol?
2-[[3-(ethylamino)-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]propan-1-ol has a molecular weight of 282.40 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(ethylamino)-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]propan-1-ol is sourced from PubChem (CID 104554579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).