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

C12H18ClNO — CID 3030974

IUPAC3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol;hydrochloride
SMILESCl.OCCCNC1Cc2ccccc2C1
InChIInChI=1S/C12H17NO.ClH/c14-7-3-6-13-12-8-10-4-1-2-5-11(10)9-12;/h1-2,4-5,12-14H,3,6-9H2;1H
InChIKeyKAKBEJSBNBDGHL-UHFFFAOYSA-N
MW227.73 g/mol
LogP1.55
Rot. Bonds4

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

3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol;hydrochloride (PubChem CID 3030974) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol;hydrochloride
PubChem CID3030974
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol;hydrochloride
SMILESCl.OCCCNC1Cc2ccccc2C1
InChIInChI=1S/C12H17NO.ClH/c14-7-3-6-13-12-8-10-4-1-2-5-11(10)9-12;/h1-2,4-5,12-14H,3,6-9H2;1H
InChIKeyKAKBEJSBNBDGHL-UHFFFAOYSA-N
XLogP1.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol;hydrochloride?
The IUPAC name of 3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol;hydrochloride (CID 3030974) is 3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol;hydrochloride.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol;hydrochloride?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol;hydrochloride is Cl.OCCCNC1Cc2ccccc2C1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol;hydrochloride?
The InChIKey is KAKBEJSBNBDGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c14-7-3-6-13-12-8-10-4-1-2-5-11(10)9-12;/h1-2,4-5,12-14H,3,6-9H2;1H.
What are the key properties of 3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol;hydrochloride?
3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol;hydrochloride has a molecular weight of 227.73 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol;hydrochloride is sourced from PubChem (CID 3030974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).