(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol

C12H18FNO — CID 67354588

IUPAC(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
SMILESCC(C)(C)NC[C@H](O)c1cccc(F)c1
InChIInChI=1S/C12H18FNO/c1-12(2,3)14-8-11(15)9-5-4-6-10(13)7-9/h4-7,11,14-15H,8H2,1-3H3/t11-/m0/s1
InChIKeyYKXCHWSPIFUXMT-NSHDSACASA-N
MW211.28 g/mol
LogP2.25
Rot. Bonds3

About (1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol

(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol (PubChem CID 67354588) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is (1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
PubChem CID67354588
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
SMILESCC(C)(C)NC[C@H](O)c1cccc(F)c1
InChIInChI=1S/C12H18FNO/c1-12(2,3)14-8-11(15)9-5-4-6-10(13)7-9/h4-7,11,14-15H,8H2,1-3H3/t11-/m0/s1
InChIKeyYKXCHWSPIFUXMT-NSHDSACASA-N
XLogP2.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-2-(4-methylanilino)ethanol
CID 60900339
2-(4-ethylanilino)-1-(3-fluorophenyl)ethanol
CID 60901648
1-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-2-ol
CID 107151876
1-(3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904161
2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901279
2-[[1-(4-aminocyclohexyl)-2-methylpropan-2-yl]amino]-1-(3-fluorophenyl)ethanol
CID 175873903
1-(3-fluorophenyl)-2-(3-methylbutan-2-ylamino)ethanol
CID 60899473
N-tert-butyl-2-(3-fluorophenyl)-5-methylhexan-1-amine
CID 79441221
2-(tert-butylamino)-1-(3-ethoxyphenyl)ethanol
CID 62772976
1-(3-fluorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644735
2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60898780
3-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol
CID 104628067

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol?
The IUPAC name of (1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol (CID 67354588) is (1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol.
What is the SMILES notation for (1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol?
The canonical SMILES for (1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol is CC(C)(C)NC[C@H](O)c1cccc(F)c1.
What is the InChIKey of (1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol?
The InChIKey is YKXCHWSPIFUXMT-NSHDSACASA-N. The full InChI is InChI=1S/C12H18FNO/c1-12(2,3)14-8-11(15)9-5-4-6-10(13)7-9/h4-7,11,14-15H,8H2,1-3H3/t11-/m0/s1.
What are the key properties of (1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol?
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol has a molecular weight of 211.28 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol is sourced from PubChem (CID 67354588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).