1-(2H-inden-1-ylmethylamino)propan-2-ol

C13H17NO — CID 126600647

IUPAC1-(2H-inden-1-ylmethylamino)propan-2-ol
SMILESCC(O)CNCC1=c2ccccc2=CC1
InChIInChI=1S/C13H17NO/c1-10(15)8-14-9-12-7-6-11-4-2-3-5-13(11)12/h2-6,10,14-15H,7-9H2,1H3
InChIKeyAHYBMTDCRCEULU-UHFFFAOYSA-N
MW203.29 g/mol
LogP-0.01
Rot. Bonds4

About 1-(2H-inden-1-ylmethylamino)propan-2-ol

1-(2H-inden-1-ylmethylamino)propan-2-ol (PubChem CID 126600647) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-(2H-inden-1-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2H-inden-1-ylmethylamino)propan-2-ol
PubChem CID126600647
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1-(2H-inden-1-ylmethylamino)propan-2-ol
SMILESCC(O)CNCC1=c2ccccc2=CC1
InChIInChI=1S/C13H17NO/c1-10(15)8-14-9-12-7-6-11-4-2-3-5-13(11)12/h2-6,10,14-15H,7-9H2,1H3
InChIKeyAHYBMTDCRCEULU-UHFFFAOYSA-N
XLogP-0.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(benzylamino)propan-2-ol
CID 964914
1-[(2-methylphenyl)methylamino]propan-2-ol;hydrochloride
CID 17293836
(2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 94331216
(2S)-1-(pyridin-4-ylmethylamino)propan-2-ol
CID 964925
1-[[2-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 60924440
1-(2H-chromen-3-ylmethylamino)propan-2-ol;hydrochloride
CID 115605418
(2S)-1-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51675528
(2S)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-2-ol
CID 103884133
(2S)-1-[[4-(N-phenylanilino)phenyl]methylamino]propan-2-ol
CID 51923142
1-[(1-ethylpyrrol-2-yl)methylamino]propan-2-ol
CID 66411513
(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol
CID 93033134
1-(naphthalen-1-ylmethylamino)propan-2-ol;oxalic acid
CID 171155033

Frequently Asked Questions

What is the IUPAC name of 1-(2H-inden-1-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(2H-inden-1-ylmethylamino)propan-2-ol (CID 126600647) is 1-(2H-inden-1-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(2H-inden-1-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(2H-inden-1-ylmethylamino)propan-2-ol is CC(O)CNCC1=c2ccccc2=CC1.
What is the InChIKey of 1-(2H-inden-1-ylmethylamino)propan-2-ol?
The InChIKey is AHYBMTDCRCEULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10(15)8-14-9-12-7-6-11-4-2-3-5-13(11)12/h2-6,10,14-15H,7-9H2,1H3.
What are the key properties of 1-(2H-inden-1-ylmethylamino)propan-2-ol?
1-(2H-inden-1-ylmethylamino)propan-2-ol has a molecular weight of 203.29 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-inden-1-ylmethylamino)propan-2-ol is sourced from PubChem (CID 126600647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).