[(1S)-1-amino-2,3-dihydroinden-1-yl]methanol

C10H13NO — CID 51892318

IUPAC[(1S)-1-amino-2,3-dihydroinden-1-yl]methanol
SMILESN[C@@]1(CO)CCc2ccccc21
InChIInChI=1S/C10H13NO/c11-10(7-12)6-5-8-3-1-2-4-9(8)10/h1-4,12H,5-7,11H2/t10-/m1/s1
InChIKeySHSCRKXSHFWZSL-SNVBAGLBSA-N
MW163.22 g/mol
LogP0.78
Rot. Bonds1

About [(1S)-1-amino-2,3-dihydroinden-1-yl]methanol

[(1S)-1-amino-2,3-dihydroinden-1-yl]methanol (PubChem CID 51892318) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is [(1S)-1-amino-2,3-dihydroinden-1-yl]methanol.

Molecular Properties

Compound Name[(1S)-1-amino-2,3-dihydroinden-1-yl]methanol
PubChem CID51892318
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name[(1S)-1-amino-2,3-dihydroinden-1-yl]methanol
SMILESN[C@@]1(CO)CCc2ccccc21
InChIInChI=1S/C10H13NO/c11-10(7-12)6-5-8-3-1-2-4-9(8)10/h1-4,12H,5-7,11H2/t10-/m1/s1
InChIKeySHSCRKXSHFWZSL-SNVBAGLBSA-N
XLogP0.78
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol
CID 61055624
1-(2-chloroethyl)-2,3-dihydroinden-1-amine
CID 172761296
1-(2-ethylbutyl)-2,3-dihydroinden-1-amine
CID 82919598
2-(1-amino-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 64663881
methyl 2-[(1S)-1-amino-2,3-dihydroinden-1-yl]acetate
CID 134496722
ethyl 2-(1-amino-2,3-dihydroinden-1-yl)acetate
CID 79848288
(1-amino-4-chloro-2,3-dihydroinden-1-yl)methanol
CID 83908135
1-(2-tert-butylsulfanylethyl)-2,3-dihydroinden-1-amine
CID 114271563
1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 11084449
1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydroinden-1-amine
CID 62622359
(1-propan-2-yl-2,3-dihydroinden-1-yl)methanol
CID 146230442
1-[(4-bromothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine
CID 55096011

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-amino-2,3-dihydroinden-1-yl]methanol?
The IUPAC name of [(1S)-1-amino-2,3-dihydroinden-1-yl]methanol (CID 51892318) is [(1S)-1-amino-2,3-dihydroinden-1-yl]methanol.
What is the SMILES notation for [(1S)-1-amino-2,3-dihydroinden-1-yl]methanol?
The canonical SMILES for [(1S)-1-amino-2,3-dihydroinden-1-yl]methanol is N[C@@]1(CO)CCc2ccccc21.
What is the InChIKey of [(1S)-1-amino-2,3-dihydroinden-1-yl]methanol?
The InChIKey is SHSCRKXSHFWZSL-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13NO/c11-10(7-12)6-5-8-3-1-2-4-9(8)10/h1-4,12H,5-7,11H2/t10-/m1/s1.
What are the key properties of [(1S)-1-amino-2,3-dihydroinden-1-yl]methanol?
[(1S)-1-amino-2,3-dihydroinden-1-yl]methanol has a molecular weight of 163.22 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-amino-2,3-dihydroinden-1-yl]methanol is sourced from PubChem (CID 51892318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).