(1R,2S)-1-amino-1-(9H-fluoren-2-yl)-3-phenylpropan-2-ol;hydrochloride

C22H22ClNO — CID 171265081

IUPAC(1R,2S)-1-amino-1-(9H-fluoren-2-yl)-3-phenylpropan-2-ol;hydrochloride
SMILESCl.N[C@H](c1ccc2c(c1)Cc1ccccc1-2)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C22H21NO.ClH/c23-22(21(24)12-15-6-2-1-3-7-15)17-10-11-20-18(14-17)13-16-8-4-5-9-19(16)20;/h1-11,14,21-22,24H,12-13,23H2;1H/t21-,22+;/m0./s1
InChIKeyLRPBZGWURXDPNK-UMIAIAFLSA-N
MW351.88 g/mol
LogP4.28
Rot. Bonds4

About (1R,2S)-1-amino-1-(9H-fluoren-2-yl)-3-phenylpropan-2-ol;hydrochloride

(1R,2S)-1-amino-1-(9H-fluoren-2-yl)-3-phenylpropan-2-ol;hydrochloride (PubChem CID 171265081) has the molecular formula C22H22ClNO and a molecular weight of 351.88 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(9H-fluoren-2-yl)-3-phenylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(9H-fluoren-2-yl)-3-phenylpropan-2-ol;hydrochloride
PubChem CID171265081
Molecular FormulaC22H22ClNO
Molecular Weight351.88 g/mol
Exact Mass351.14
IUPAC Name(1R,2S)-1-amino-1-(9H-fluoren-2-yl)-3-phenylpropan-2-ol;hydrochloride
SMILESCl.N[C@H](c1ccc2c(c1)Cc1ccccc1-2)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C22H21NO.ClH/c23-22(21(24)12-15-6-2-1-3-7-15)17-10-11-20-18(14-17)13-16-8-4-5-9-19(16)20;/h1-11,14,21-22,24H,12-13,23H2;1H/t21-,22+;/m0./s1
InChIKeyLRPBZGWURXDPNK-UMIAIAFLSA-N
XLogP4.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 54.28
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
(1S,2R)-1-amino-1-(9H-fluoren-2-yl)butan-2-ol
CID 171270729
(1S,2R)-1-amino-1-(9H-fluoren-2-yl)propan-2-ol;hydrochloride
CID 171270728
(1S,2R)-1-amino-1-(9H-fluoren-2-yl)propan-2-ol
CID 171270727
(1R,2S)-1-amino-1-(9H-fluoren-2-yl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171265069
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
(1S,2R)-1-amino-1-(3,5-dimethylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171267421
(1R,2S)-1-amino-1-(3-iodophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171264272
(1R,2S)-1-amino-3-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171261024

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(9H-fluoren-2-yl)-3-phenylpropan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-1-(9H-fluoren-2-yl)-3-phenylpropan-2-ol;hydrochloride (CID 171265081) is (1R,2S)-1-amino-1-(9H-fluoren-2-yl)-3-phenylpropan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-1-(9H-fluoren-2-yl)-3-phenylpropan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-1-(9H-fluoren-2-yl)-3-phenylpropan-2-ol;hydrochloride is Cl.N[C@H](c1ccc2c(c1)Cc1ccccc1-2)[C@@H](O)Cc1ccccc1.
What is the InChIKey of (1R,2S)-1-amino-1-(9H-fluoren-2-yl)-3-phenylpropan-2-ol;hydrochloride?
The InChIKey is LRPBZGWURXDPNK-UMIAIAFLSA-N. The full InChI is InChI=1S/C22H21NO.ClH/c23-22(21(24)12-15-6-2-1-3-7-15)17-10-11-20-18(14-17)13-16-8-4-5-9-19(16)20;/h1-11,14,21-22,24H,12-13,23H2;1H/t21-,22+;/m0./s1.
What are the key properties of (1R,2S)-1-amino-1-(9H-fluoren-2-yl)-3-phenylpropan-2-ol;hydrochloride?
(1R,2S)-1-amino-1-(9H-fluoren-2-yl)-3-phenylpropan-2-ol;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(9H-fluoren-2-yl)-3-phenylpropan-2-ol;hydrochloride is sourced from PubChem (CID 171265081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).