1-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]-2-methylpropan-2-ol

C16H27FN2O — CID 79380126

IUPAC1-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]-2-methylpropan-2-ol
SMILESCCNC(CCN(C)CC(C)(C)O)c1cccc(F)c1
InChIInChI=1S/C16H27FN2O/c1-5-18-15(13-7-6-8-14(17)11-13)9-10-19(4)12-16(2,3)20/h6-8,11,15,18,20H,5,9-10,12H2,1-4H3
InChIKeyGBTYHTGQKLPOSP-UHFFFAOYSA-N
MW282.40 g/mol
LogP2.57
Rot. Bonds8

About 1-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]-2-methylpropan-2-ol

1-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]-2-methylpropan-2-ol (PubChem CID 79380126) has the molecular formula C16H27FN2O and a molecular weight of 282.40 g/mol. Its IUPAC name is 1-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]-2-methylpropan-2-ol
PubChem CID79380126
Molecular FormulaC16H27FN2O
Molecular Weight282.40 g/mol
Exact Mass282.21
IUPAC Name1-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]-2-methylpropan-2-ol
SMILESCCNC(CCN(C)CC(C)(C)O)c1cccc(F)c1
InChIInChI=1S/C16H27FN2O/c1-5-18-15(13-7-6-8-14(17)11-13)9-10-19(4)12-16(2,3)20/h6-8,11,15,18,20H,5,9-10,12H2,1-4H3
InChIKeyGBTYHTGQKLPOSP-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79376938
2-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]ethanol
CID 55099062
N'-(cyclopropylmethyl)-N-ethyl-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62642941
N,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 62644081
N-ethyl-1-(3-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 79093897
N-ethyl-1-(3-fluorophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62645347
N'-butyl-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 62644965
1-[[3-(3-chlorophenyl)-3-(ethylamino)propyl]-ethylamino]-2-methylpropan-2-ol
CID 79377199
N-ethyl-N'-(3-fluorophenyl)-N'-methyl-1-phenylpropane-1,3-diamine
CID 62613117
2-[1-(3-fluorophenyl)propyl]-1,1-dimethylhydrazine
CID 114871774
4-ethoxy-N-ethyl-1-(3-fluorophenyl)butan-1-amine
CID 105092697
N'-(cyclobutylmethyl)-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 107401542

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]-2-methylpropan-2-ol (CID 79380126) is 1-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]-2-methylpropan-2-ol is CCNC(CCN(C)CC(C)(C)O)c1cccc(F)c1.
What is the InChIKey of 1-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]-2-methylpropan-2-ol?
The InChIKey is GBTYHTGQKLPOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2O/c1-5-18-15(13-7-6-8-14(17)11-13)9-10-19(4)12-16(2,3)20/h6-8,11,15,18,20H,5,9-10,12H2,1-4H3.
What are the key properties of 1-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]-2-methylpropan-2-ol?
1-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]-2-methylpropan-2-ol has a molecular weight of 282.40 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79380126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).