(2S)-1-amino-4-(3-tert-butyl-4-fluorophenyl)butan-2-ol

C14H22FNO — CID 90210106

IUPAC(2S)-1-amino-4-(3-tert-butyl-4-fluorophenyl)butan-2-ol
SMILESCC(C)(C)c1cc(CC[C@H](O)CN)ccc1F
InChIInChI=1S/C14H22FNO/c1-14(2,3)12-8-10(5-7-13(12)15)4-6-11(17)9-16/h5,7-8,11,17H,4,6,9,16H2,1-3H3/t11-/m0/s1
InChIKeyLXTGLAIEFNMPIG-NSHDSACASA-N
MW239.33 g/mol
LogP2.38
Rot. Bonds4

About (2S)-1-amino-4-(3-tert-butyl-4-fluorophenyl)butan-2-ol

(2S)-1-amino-4-(3-tert-butyl-4-fluorophenyl)butan-2-ol (PubChem CID 90210106) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is (2S)-1-amino-4-(3-tert-butyl-4-fluorophenyl)butan-2-ol.

Molecular Properties

Compound Name(2S)-1-amino-4-(3-tert-butyl-4-fluorophenyl)butan-2-ol
PubChem CID90210106
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name(2S)-1-amino-4-(3-tert-butyl-4-fluorophenyl)butan-2-ol
SMILESCC(C)(C)c1cc(CC[C@H](O)CN)ccc1F
InChIInChI=1S/C14H22FNO/c1-14(2,3)12-8-10(5-7-13(12)15)4-6-11(17)9-16/h5,7-8,11,17H,4,6,9,16H2,1-3H3/t11-/m0/s1
InChIKeyLXTGLAIEFNMPIG-NSHDSACASA-N
XLogP2.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-4-(3,4-difluorophenyl)butan-2-ol
CID 82282345
1-amino-4-(3,5-ditert-butyl-4-methoxyphenyl)butan-2-ol
CID 83938613
2-tert-butyl-1-fluoro-4-propylbenzene
CID 139403848
4-(3-tert-butyl-4-fluorophenyl)-2-methylbutan-2-amine
CID 90210068
2-tert-butyl-1-fluoro-4-(2-methylpropyl)benzene
CID 139403851
4-amino-1-(3-tert-butyl-4-ethoxyphenyl)pentan-3-ol
CID 83934397
(2S)-1-amino-4-(3,5-difluorophenyl)butan-2-ol
CID 95438340
1-amino-4-(4-propylphenyl)butan-2-ol
CID 83921571
1-amino-4-(4-chloro-3-methylphenyl)butan-2-ol
CID 83937420
1-amino-4-(4-bromo-3-methylphenyl)butan-2-ol
CID 83936347
1-amino-4-(3-methylphenyl)butan-2-ol
CID 66581739
1-(4-fluoro-3-methylphenyl)pentan-3-ol
CID 64515114

Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-4-(3-tert-butyl-4-fluorophenyl)butan-2-ol?
The IUPAC name of (2S)-1-amino-4-(3-tert-butyl-4-fluorophenyl)butan-2-ol (CID 90210106) is (2S)-1-amino-4-(3-tert-butyl-4-fluorophenyl)butan-2-ol.
What is the SMILES notation for (2S)-1-amino-4-(3-tert-butyl-4-fluorophenyl)butan-2-ol?
The canonical SMILES for (2S)-1-amino-4-(3-tert-butyl-4-fluorophenyl)butan-2-ol is CC(C)(C)c1cc(CC[C@H](O)CN)ccc1F.
What is the InChIKey of (2S)-1-amino-4-(3-tert-butyl-4-fluorophenyl)butan-2-ol?
The InChIKey is LXTGLAIEFNMPIG-NSHDSACASA-N. The full InChI is InChI=1S/C14H22FNO/c1-14(2,3)12-8-10(5-7-13(12)15)4-6-11(17)9-16/h5,7-8,11,17H,4,6,9,16H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-1-amino-4-(3-tert-butyl-4-fluorophenyl)butan-2-ol?
(2S)-1-amino-4-(3-tert-butyl-4-fluorophenyl)butan-2-ol has a molecular weight of 239.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-4-(3-tert-butyl-4-fluorophenyl)butan-2-ol is sourced from PubChem (CID 90210106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).