(1S,2S)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol

C16H17NO — CID 138485256

IUPAC(1S,2S)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol
SMILESCN[C@H]1c2ccccc2C[C@]1(O)c1ccccc1
InChIInChI=1S/C16H17NO/c1-17-15-14-10-6-5-7-12(14)11-16(15,18)13-8-3-2-4-9-13/h2-10,15,17-18H,11H2,1H3/t15-,16-/m0/s1
InChIKeyXNMJZIZQWKEIIW-HOTGVXAUSA-N
MW239.32 g/mol
LogP2.39
Rot. Bonds2

About (1S,2S)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol

(1S,2S)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol (PubChem CID 138485256) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is (1S,2S)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol
PubChem CID138485256
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name(1S,2S)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol
SMILESCN[C@H]1c2ccccc2C[C@]1(O)c1ccccc1
InChIInChI=1S/C16H17NO/c1-17-15-14-10-6-5-7-12(14)11-16(15,18)13-8-3-2-4-9-13/h2-10,15,17-18H,11H2,1H3/t15-,16-/m0/s1
InChIKeyXNMJZIZQWKEIIW-HOTGVXAUSA-N
XLogP2.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol?
The IUPAC name of (1S,2S)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol (CID 138485256) is (1S,2S)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol.
What is the SMILES notation for (1S,2S)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol?
The canonical SMILES for (1S,2S)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol is CN[C@H]1c2ccccc2C[C@]1(O)c1ccccc1.
What is the InChIKey of (1S,2S)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol?
The InChIKey is XNMJZIZQWKEIIW-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H17NO/c1-17-15-14-10-6-5-7-12(14)11-16(15,18)13-8-3-2-4-9-13/h2-10,15,17-18H,11H2,1H3/t15-,16-/m0/s1.
What are the key properties of (1S,2S)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol?
(1S,2S)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol has a molecular weight of 239.32 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol is sourced from PubChem (CID 138485256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).