1-[(4-benzylphenoxy)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride

C23H24ClNO — CID 67653412

IUPAC1-[(4-benzylphenoxy)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride
SMILESCl.NC1Cc2ccccc2C1COc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C23H23NO.ClH/c24-23-15-19-8-4-5-9-21(19)22(23)16-25-20-12-10-18(11-13-20)14-17-6-2-1-3-7-17;/h1-13,22-23H,14-16,24H2;1H
InChIKeyVCPOVLGEKVNUAM-UHFFFAOYSA-N
MW365.90 g/mol
LogP4.75
Rot. Bonds5

About 1-[(4-benzylphenoxy)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride

1-[(4-benzylphenoxy)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride (PubChem CID 67653412) has the molecular formula C23H24ClNO and a molecular weight of 365.90 g/mol. Its IUPAC name is 1-[(4-benzylphenoxy)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[(4-benzylphenoxy)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride
PubChem CID67653412
Molecular FormulaC23H24ClNO
Molecular Weight365.90 g/mol
Exact Mass365.15
IUPAC Name1-[(4-benzylphenoxy)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride
SMILESCl.NC1Cc2ccccc2C1COc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C23H23NO.ClH/c24-23-15-19-8-4-5-9-21(19)22(23)16-25-20-12-10-18(11-13-20)14-17-6-2-1-3-7-17;/h1-13,22-23H,14-16,24H2;1H
InChIKeyVCPOVLGEKVNUAM-UHFFFAOYSA-N
XLogP4.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.90
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-benzylphenoxy)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The IUPAC name of 1-[(4-benzylphenoxy)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride (CID 67653412) is 1-[(4-benzylphenoxy)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride.
What is the SMILES notation for 1-[(4-benzylphenoxy)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The canonical SMILES for 1-[(4-benzylphenoxy)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride is Cl.NC1Cc2ccccc2C1COc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 1-[(4-benzylphenoxy)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The InChIKey is VCPOVLGEKVNUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO.ClH/c24-23-15-19-8-4-5-9-21(19)22(23)16-25-20-12-10-18(11-13-20)14-17-6-2-1-3-7-17;/h1-13,22-23H,14-16,24H2;1H.
What are the key properties of 1-[(4-benzylphenoxy)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride?
1-[(4-benzylphenoxy)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride has a molecular weight of 365.90 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-benzylphenoxy)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride is sourced from PubChem (CID 67653412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).