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

C16H17NO — CID 138485254

IUPAC(1R,2R)-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-/m1/s1
InChIKeyXNMJZIZQWKEIIW-HZPDHXFCSA-N
MW239.32 g/mol
LogP2.39
Rot. Bonds2

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

(1R,2R)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol (PubChem CID 138485254) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is (1R,2R)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol
PubChem CID138485254
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name(1R,2R)-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-/m1/s1
InChIKeyXNMJZIZQWKEIIW-HZPDHXFCSA-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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Related Compounds

(1S,2S)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol
CID 138485256
(1R,2R)-1-methyl-2-phenyl-1,3-dihydroinden-2-ol
CID 14449205
pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol
CID 90482140
(1S,2R,10S,17S)-pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol
CID 98554614
(2S)-2-(methylamino)-1-phenylcyclopentan-1-ol
CID 70572348
3-methyl-3-phenyl-1,4-dihydroisochromen-1-ol
CID 10728752
1-hydroxy-1-phenyl-5,9b-dihydro-2H-pyrrolo[2,1-a]isoindol-3-one
CID 576510
N,3,3-trimethyl-2,4-dihydro-1H-naphthalen-1-amine
CID 84618813
1-bromo-2-methyl-1,3-dihydroinden-2-ol
CID 174888924
2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-phenylethanol
CID 82797031
(1S,8R,9S)-9-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol
CID 98477563
N-spiro[1,3-dihydroindene-2,1'-cyclohexane]-1-ylacetamide
CID 21433683

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol?
The IUPAC name of (1R,2R)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol (CID 138485254) is (1R,2R)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol.
What is the SMILES notation for (1R,2R)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol?
The canonical SMILES for (1R,2R)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol is CN[C@@H]1c2ccccc2C[C@@]1(O)c1ccccc1.
What is the InChIKey of (1R,2R)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol?
The InChIKey is XNMJZIZQWKEIIW-HZPDHXFCSA-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-/m1/s1.
What are the key properties of (1R,2R)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol?
(1R,2R)-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 (1R,2R)-1-(methylamino)-2-phenyl-1,3-dihydroinden-2-ol is sourced from PubChem (CID 138485254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).