(2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol

C12H17NO — CID 114986954

IUPAC(2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol
SMILESC[C@H](CO)NC1CCc2ccccc21
InChIInChI=1S/C12H17NO/c1-9(8-14)13-12-7-6-10-4-2-3-5-11(10)12/h2-5,9,12-14H,6-8H2,1H3/t9-,12?/m1/s1
InChIKeyJHVOJQFVWXPMGZ-PKEIRNPWSA-N
MW191.27 g/mol
LogP1.64
Rot. Bonds3

About (2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol

(2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol (PubChem CID 114986954) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol
PubChem CID114986954
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol
SMILESC[C@H](CO)NC1CCc2ccccc21
InChIInChI=1S/C12H17NO/c1-9(8-14)13-12-7-6-10-4-2-3-5-11(10)12/h2-5,9,12-14H,6-8H2,1H3/t9-,12?/m1/s1
InChIKeyJHVOJQFVWXPMGZ-PKEIRNPWSA-N
XLogP1.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-1-ol
CID 115722752
N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 115721717
2-(2,3-dihydro-1H-inden-1-ylamino)propane-1,3-diol
CID 65315582
(2S)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)propan-1-ol
CID 11043746
2-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]phenol
CID 43204004
N-nonan-2-yl-2,3-dihydro-1H-inden-1-amine
CID 43129999
(2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 103789078
2-(3,4-dihydro-1H-isochromen-4-ylamino)propan-1-ol
CID 107148964
(2S)-2-(3,4-dihydro-2H-thiochromen-4-ylamino)propan-1-ol
CID 103788965
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanoic acid
CID 43652089
(2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114986964
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-2-ol
CID 65333179

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol?
The IUPAC name of (2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol (CID 114986954) is (2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol.
What is the SMILES notation for (2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol?
The canonical SMILES for (2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol is C[C@H](CO)NC1CCc2ccccc21.
What is the InChIKey of (2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol?
The InChIKey is JHVOJQFVWXPMGZ-PKEIRNPWSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(8-14)13-12-7-6-10-4-2-3-5-11(10)12/h2-5,9,12-14H,6-8H2,1H3/t9-,12?/m1/s1.
What are the key properties of (2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol?
(2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol has a molecular weight of 191.27 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol is sourced from PubChem (CID 114986954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).