(1S,2R)-1-amino-1-(9H-fluoren-2-yl)butan-2-ol

C17H19NO — CID 171270729

IUPAC(1S,2R)-1-amino-1-(9H-fluoren-2-yl)butan-2-ol
SMILESCC[C@@H](O)[C@@H](N)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C17H19NO/c1-2-16(19)17(18)12-7-8-15-13(10-12)9-11-5-3-4-6-14(11)15/h3-8,10,16-17,19H,2,9,18H2,1H3/t16-,17+/m1/s1
InChIKeyUXQWDHCHDWSEEB-SJORKVTESA-N
MW253.34 g/mol
LogP3.03
Rot. Bonds3

About (1S,2R)-1-amino-1-(9H-fluoren-2-yl)butan-2-ol

(1S,2R)-1-amino-1-(9H-fluoren-2-yl)butan-2-ol (PubChem CID 171270729) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(9H-fluoren-2-yl)butan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(9H-fluoren-2-yl)butan-2-ol
PubChem CID171270729
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name(1S,2R)-1-amino-1-(9H-fluoren-2-yl)butan-2-ol
SMILESCC[C@@H](O)[C@@H](N)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C17H19NO/c1-2-16(19)17(18)12-7-8-15-13(10-12)9-11-5-3-4-6-14(11)15/h3-8,10,16-17,19H,2,9,18H2,1H3/t16-,17+/m1/s1
InChIKeyUXQWDHCHDWSEEB-SJORKVTESA-N
XLogP3.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-amino-1-(9H-fluoren-2-yl)butan-2-ol
CID 171265056
(1R,2S)-1-amino-1-(9H-fluoren-2-yl)-3-phenylpropan-2-ol;hydrochloride
CID 171265081
(1S,2R)-1-amino-1-(9H-fluoren-2-yl)propan-2-ol
CID 171270727
(1S,2R)-1-amino-1-(9H-fluoren-2-yl)propan-2-ol;hydrochloride
CID 171270728
(1R,2S)-1-amino-1-(9H-fluoren-2-yl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171265069
(1S)-1-(9H-fluoren-2-yl)butan-1-amine
CID 171233264
3-amino-1-(9H-fluoren-2-yl)propane-1,2-diol
CID 170829007
2-amino-1-(9H-fluoren-2-yl)ethanol
CID 14023206
(4-aminophenyl)-(9H-fluoren-2-yl)methanol
CID 91678822
(1S)-1-(9H-fluoren-2-yl)-3,3-difluoropropan-1-amine
CID 171313299
ethyl (3R)-3-amino-3-(9H-fluoren-2-yl)propanoate
CID 171213682
1-(9H-fluoren-2-yl)-2-propan-2-ylsulfanylethanamine
CID 64634231

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(9H-fluoren-2-yl)butan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-(9H-fluoren-2-yl)butan-2-ol (CID 171270729) is (1S,2R)-1-amino-1-(9H-fluoren-2-yl)butan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-(9H-fluoren-2-yl)butan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-(9H-fluoren-2-yl)butan-2-ol is CC[C@@H](O)[C@@H](N)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of (1S,2R)-1-amino-1-(9H-fluoren-2-yl)butan-2-ol?
The InChIKey is UXQWDHCHDWSEEB-SJORKVTESA-N. The full InChI is InChI=1S/C17H19NO/c1-2-16(19)17(18)12-7-8-15-13(10-12)9-11-5-3-4-6-14(11)15/h3-8,10,16-17,19H,2,9,18H2,1H3/t16-,17+/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-(9H-fluoren-2-yl)butan-2-ol?
(1S,2R)-1-amino-1-(9H-fluoren-2-yl)butan-2-ol has a molecular weight of 253.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(9H-fluoren-2-yl)butan-2-ol is sourced from PubChem (CID 171270729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).