2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-ethylamino]ethanol

C14H23FN2O — CID 112679850

IUPAC2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-ethylamino]ethanol
SMILESCCN(CCO)CC(C)C(N)c1ccccc1F
InChIInChI=1S/C14H23FN2O/c1-3-17(8-9-18)10-11(2)14(16)12-6-4-5-7-13(12)15/h4-7,11,14,18H,3,8-10,16H2,1-2H3
InChIKeySKGPGZUARBQKBV-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.78
Rot. Bonds7

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

2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-ethylamino]ethanol (PubChem CID 112679850) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-ethylamino]ethanol.

Molecular Properties

Compound Name2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-ethylamino]ethanol
PubChem CID112679850
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-ethylamino]ethanol
SMILESCCN(CCO)CC(C)C(N)c1ccccc1F
InChIInChI=1S/C14H23FN2O/c1-3-17(8-9-18)10-11(2)14(16)12-6-4-5-7-13(12)15/h4-7,11,14,18H,3,8-10,16H2,1-2H3
InChIKeySKGPGZUARBQKBV-UHFFFAOYSA-N
XLogP1.78
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N',N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 112679793
2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-propan-2-ylamino]ethanol
CID 112679871
2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
CID 62619271
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)-2-[2-hydroxyethyl(propyl)amino]ethanol
CID 56811844
2-[[3-amino-3-(2,3-difluorophenyl)propyl]-ethylamino]ethanol
CID 114059481
N,N-diethyl-2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanylethanamine
CID 97320003
3-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]propan-1-ol
CID 113468603
1-(2-aminophenyl)-2-[ethyl(2-hydroxyethyl)amino]ethanol
CID 62266300
N'-cyclohexyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 115996703
N'-ethyl-1-(2-fluorophenyl)-2-methyl-N,N'-dipropylpropane-1,3-diamine
CID 115996717

Frequently Asked Questions

What is the IUPAC name of 2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-ethylamino]ethanol?
The IUPAC name of 2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-ethylamino]ethanol (CID 112679850) is 2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-ethylamino]ethanol.
What is the SMILES notation for 2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-ethylamino]ethanol?
The canonical SMILES for 2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-ethylamino]ethanol is CCN(CCO)CC(C)C(N)c1ccccc1F.
What is the InChIKey of 2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-ethylamino]ethanol?
The InChIKey is SKGPGZUARBQKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-3-17(8-9-18)10-11(2)14(16)12-6-4-5-7-13(12)15/h4-7,11,14,18H,3,8-10,16H2,1-2H3.
What are the key properties of 2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-ethylamino]ethanol?
2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-ethylamino]ethanol has a molecular weight of 254.35 g/mol, XLogP of 1.78, 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]-ethylamino]ethanol is sourced from PubChem (CID 112679850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).