2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-propan-2-ylamino]ethanol

C15H25FN2O — CID 112679871

IUPAC2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-propan-2-ylamino]ethanol
SMILESCC(CN(CCO)C(C)C)C(N)c1ccccc1F
InChIInChI=1S/C15H25FN2O/c1-11(2)18(8-9-19)10-12(3)15(17)13-6-4-5-7-14(13)16/h4-7,11-12,15,19H,8-10,17H2,1-3H3
InChIKeyFPBOILAUPZYYJQ-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.16
Rot. Bonds7

About 2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-propan-2-ylamino]ethanol

2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-propan-2-ylamino]ethanol (PubChem CID 112679871) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-propan-2-ylamino]ethanol
PubChem CID112679871
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Name2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-propan-2-ylamino]ethanol
SMILESCC(CN(CCO)C(C)C)C(N)c1ccccc1F
InChIInChI=1S/C15H25FN2O/c1-11(2)18(8-9-19)10-12(3)15(17)13-6-4-5-7-14(13)16/h4-7,11-12,15,19H,8-10,17H2,1-3H3
InChIKeyFPBOILAUPZYYJQ-UHFFFAOYSA-N
XLogP2.16
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-ethylamino]ethanol
CID 112679850
N',N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 112679793
1-(2-fluorophenyl)-N',2-dimethyl-N'-phenylpropane-1,3-diamine
CID 115996681
1-(2-fluorophenyl)-N'-(2-methoxyethyl)-N',2-dimethylpropane-1,3-diamine
CID 112679868
1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]-2-methylpropan-1-ol
CID 115997200
N'-cyclohexyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 115996703
1-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]-3-methoxypropan-2-ol
CID 115996898
3-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]propan-1-ol
CID 113468603
1-(2-fluorophenyl)-N',2-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 115996768
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320
1-(2-fluorophenyl)-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 115996861
2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
CID 62619271

Frequently Asked Questions

What is the IUPAC name of 2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-propan-2-ylamino]ethanol?
The IUPAC name of 2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-propan-2-ylamino]ethanol (CID 112679871) is 2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-propan-2-ylamino]ethanol is CC(CN(CCO)C(C)C)C(N)c1ccccc1F.
What is the InChIKey of 2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-propan-2-ylamino]ethanol?
The InChIKey is FPBOILAUPZYYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-11(2)18(8-9-19)10-12(3)15(17)13-6-4-5-7-14(13)16/h4-7,11-12,15,19H,8-10,17H2,1-3H3.
What are the key properties of 2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-propan-2-ylamino]ethanol?
2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-propan-2-ylamino]ethanol has a molecular weight of 268.38 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-propan-2-ylamino]ethanol is sourced from PubChem (CID 112679871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).