(4R)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine;hydrochloride

C13H18ClNO — CID 171252431

IUPAC(4R)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine;hydrochloride
SMILESCl.N[C@@H]1CCOc2c1ccc1c2CCCC1
InChIInChI=1S/C13H17NO.ClH/c14-12-7-8-15-13-10-4-2-1-3-9(10)5-6-11(12)13;/h5-6,12H,1-4,7-8,14H2;1H/t12-;/m1./s1
InChIKeyQWQQHPUKUNATBU-UTONKHPSSA-N
MW239.75 g/mol
LogP2.77
Rot. Bonds

About (4R)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine;hydrochloride

(4R)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine;hydrochloride (PubChem CID 171252431) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is (4R)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine;hydrochloride.

Molecular Properties

Compound Name(4R)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine;hydrochloride
PubChem CID171252431
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name(4R)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine;hydrochloride
SMILESCl.N[C@@H]1CCOc2c1ccc1c2CCCC1
InChIInChI=1S/C13H17NO.ClH/c14-12-7-8-15-13-10-4-2-1-3-9(10)5-6-11(12)13;/h5-6,12H,1-4,7-8,14H2;1H/t12-;/m1./s1
InChIKeyQWQQHPUKUNATBU-UTONKHPSSA-N
XLogP2.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine;hydrochloride?
The IUPAC name of (4R)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine;hydrochloride (CID 171252431) is (4R)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine;hydrochloride.
What is the SMILES notation for (4R)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine;hydrochloride?
The canonical SMILES for (4R)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine;hydrochloride is Cl.N[C@@H]1CCOc2c1ccc1c2CCCC1.
What is the InChIKey of (4R)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine;hydrochloride?
The InChIKey is QWQQHPUKUNATBU-UTONKHPSSA-N. The full InChI is InChI=1S/C13H17NO.ClH/c14-12-7-8-15-13-10-4-2-1-3-9(10)5-6-11(12)13;/h5-6,12H,1-4,7-8,14H2;1H/t12-;/m1./s1.
What are the key properties of (4R)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine;hydrochloride?
(4R)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine;hydrochloride has a molecular weight of 239.75 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine;hydrochloride is sourced from PubChem (CID 171252431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).