3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol

C15H24FNO2 — CID 104628106

IUPAC3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)NCC(O)c1ccccc1F
InChIInChI=1S/C15H24FNO2/c1-15(2,3)14(8-9-18)17-10-13(19)11-6-4-5-7-12(11)16/h4-7,13-14,17-19H,8-10H2,1-3H3
InChIKeyYSSWBMSVCJJHIP-UHFFFAOYSA-N
MW269.36 g/mol
LogP2.25
Rot. Bonds6

About 3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol

3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol (PubChem CID 104628106) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol
PubChem CID104628106
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)NCC(O)c1ccccc1F
InChIInChI=1S/C15H24FNO2/c1-15(2,3)14(8-9-18)17-10-13(19)11-6-4-5-7-12(11)16/h4-7,13-14,17-19H,8-10H2,1-3H3
InChIKeyYSSWBMSVCJJHIP-UHFFFAOYSA-N
XLogP2.25
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylanilino)-1-(2-fluorophenyl)ethanol
CID 60896520
1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905547
1-(2-fluorophenyl)-2-[1-(4-fluorophenyl)ethylamino]ethanol
CID 60744888
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-4,4-dimethylpentan-1-ol
CID 104628168
3-(benzylamino)-4,4-dimethylpentan-1-ol
CID 103949930
1-(2-fluorophenyl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]ethanol
CID 115609445
2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-methylpropanamide
CID 54950525
1-(2-fluorophenyl)-3-(propan-2-ylamino)propan-1-ol
CID 164740523
3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-4,4-dimethylpentan-1-ol
CID 103949850
1-(2-fluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol
CID 62810638
2-[(2,5-dimethylpyrrol-1-yl)amino]-1-(2-fluorophenyl)ethanol
CID 79100107
N-ethyl-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide
CID 54953469

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol (CID 104628106) is 3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol is CC(C)(C)C(CCO)NCC(O)c1ccccc1F.
What is the InChIKey of 3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol?
The InChIKey is YSSWBMSVCJJHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-15(2,3)14(8-9-18)17-10-13(19)11-6-4-5-7-12(11)16/h4-7,13-14,17-19H,8-10H2,1-3H3.
What are the key properties of 3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol?
3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol has a molecular weight of 269.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 104628106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).