(2S)-1-(9H-fluoren-2-ylamino)propan-2-ol

C16H17NO — CID 106931773

IUPAC(2S)-1-(9H-fluoren-2-ylamino)propan-2-ol
SMILESC[C@H](O)CNc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C16H17NO/c1-11(18)10-17-14-6-7-16-13(9-14)8-12-4-2-3-5-15(12)16/h2-7,9,11,17-18H,8,10H2,1H3/t11-/m0/s1
InChIKeyVMDHLKAGOHRWJD-NSHDSACASA-N
MW239.32 g/mol
LogP3.05
Rot. Bonds3

About (2S)-1-(9H-fluoren-2-ylamino)propan-2-ol

(2S)-1-(9H-fluoren-2-ylamino)propan-2-ol (PubChem CID 106931773) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is (2S)-1-(9H-fluoren-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(9H-fluoren-2-ylamino)propan-2-ol
PubChem CID106931773
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name(2S)-1-(9H-fluoren-2-ylamino)propan-2-ol
SMILESC[C@H](O)CNc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C16H17NO/c1-11(18)10-17-14-6-7-16-13(9-14)8-12-4-2-3-5-15(12)16/h2-7,9,11,17-18H,8,10H2,1H3/t11-/m0/s1
InChIKeyVMDHLKAGOHRWJD-NSHDSACASA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(9H-fluoren-2-ylamino)propan-2-ol?
The IUPAC name of (2S)-1-(9H-fluoren-2-ylamino)propan-2-ol (CID 106931773) is (2S)-1-(9H-fluoren-2-ylamino)propan-2-ol.
What is the SMILES notation for (2S)-1-(9H-fluoren-2-ylamino)propan-2-ol?
The canonical SMILES for (2S)-1-(9H-fluoren-2-ylamino)propan-2-ol is C[C@H](O)CNc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of (2S)-1-(9H-fluoren-2-ylamino)propan-2-ol?
The InChIKey is VMDHLKAGOHRWJD-NSHDSACASA-N. The full InChI is InChI=1S/C16H17NO/c1-11(18)10-17-14-6-7-16-13(9-14)8-12-4-2-3-5-15(12)16/h2-7,9,11,17-18H,8,10H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-1-(9H-fluoren-2-ylamino)propan-2-ol?
(2S)-1-(9H-fluoren-2-ylamino)propan-2-ol has a molecular weight of 239.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(9H-fluoren-2-ylamino)propan-2-ol is sourced from PubChem (CID 106931773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).