N,N-dimethyl-1-(1-methyl-4,9-dihydro-3H-indeno[2,1-c]pyran-1-yl)methanamine;hydrochloride

C16H22ClNO — CID 21495356

IUPACN,N-dimethyl-1-(1-methyl-4,9-dihydro-3H-indeno[2,1-c]pyran-1-yl)methanamine;hydrochloride
SMILESCN(C)CC1(C)OCCC2=C1Cc1ccccc12.Cl
InChIInChI=1S/C16H21NO.ClH/c1-16(11-17(2)3)15-10-12-6-4-5-7-13(12)14(15)8-9-18-16;/h4-7H,8-11H2,1-3H3;1H
InChIKeyZHSJPLAYLVSJBS-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.16
Rot. Bonds2

About N,N-dimethyl-1-(1-methyl-4,9-dihydro-3H-indeno[2,1-c]pyran-1-yl)methanamine;hydrochloride

N,N-dimethyl-1-(1-methyl-4,9-dihydro-3H-indeno[2,1-c]pyran-1-yl)methanamine;hydrochloride (PubChem CID 21495356) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is N,N-dimethyl-1-(1-methyl-4,9-dihydro-3H-indeno[2,1-c]pyran-1-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-(1-methyl-4,9-dihydro-3H-indeno[2,1-c]pyran-1-yl)methanamine;hydrochloride
PubChem CID21495356
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC NameN,N-dimethyl-1-(1-methyl-4,9-dihydro-3H-indeno[2,1-c]pyran-1-yl)methanamine;hydrochloride
SMILESCN(C)CC1(C)OCCC2=C1Cc1ccccc12.Cl
InChIInChI=1S/C16H21NO.ClH/c1-16(11-17(2)3)15-10-12-6-4-5-7-13(12)14(15)8-9-18-16;/h4-7H,8-11H2,1-3H3;1H
InChIKeyZHSJPLAYLVSJBS-UHFFFAOYSA-N
XLogP3.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1-methyl-4,9-dihydro-3H-indeno[2,1-c]pyran-1-yl)methanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-1-(1-methyl-4,9-dihydro-3H-indeno[2,1-c]pyran-1-yl)methanamine;hydrochloride (CID 21495356) is N,N-dimethyl-1-(1-methyl-4,9-dihydro-3H-indeno[2,1-c]pyran-1-yl)methanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1-(1-methyl-4,9-dihydro-3H-indeno[2,1-c]pyran-1-yl)methanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-1-(1-methyl-4,9-dihydro-3H-indeno[2,1-c]pyran-1-yl)methanamine;hydrochloride is CN(C)CC1(C)OCCC2=C1Cc1ccccc12.Cl.
What is the InChIKey of N,N-dimethyl-1-(1-methyl-4,9-dihydro-3H-indeno[2,1-c]pyran-1-yl)methanamine;hydrochloride?
The InChIKey is ZHSJPLAYLVSJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO.ClH/c1-16(11-17(2)3)15-10-12-6-4-5-7-13(12)14(15)8-9-18-16;/h4-7H,8-11H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-1-(1-methyl-4,9-dihydro-3H-indeno[2,1-c]pyran-1-yl)methanamine;hydrochloride?
N,N-dimethyl-1-(1-methyl-4,9-dihydro-3H-indeno[2,1-c]pyran-1-yl)methanamine;hydrochloride has a molecular weight of 279.81 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1-methyl-4,9-dihydro-3H-indeno[2,1-c]pyran-1-yl)methanamine;hydrochloride is sourced from PubChem (CID 21495356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).