6-methoxy-N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine;hydrochloride

C25H31ClN2O2 — CID 66986364

IUPAC6-methoxy-N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine;hydrochloride
SMILESCOc1ccc2[nH]c3c(c2c1)CCOC31CCC(c2ccccc2)(N(C)C)CC1.Cl
InChIInChI=1S/C25H30N2O2.ClH/c1-27(2)24(18-7-5-4-6-8-18)12-14-25(15-13-24)23-20(11-16-29-25)21-17-19(28-3)9-10-22(21)26-23;/h4-10,17,26H,11-16H2,1-3H3;1H
InChIKeyFDFLFJKAMLZRLE-UHFFFAOYSA-N
MW426.99 g/mol
LogP5.40
Rot. Bonds3

About 6-methoxy-N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine;hydrochloride

6-methoxy-N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine;hydrochloride (PubChem CID 66986364) has the molecular formula C25H31ClN2O2 and a molecular weight of 426.99 g/mol. Its IUPAC name is 6-methoxy-N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine;hydrochloride.

Molecular Properties

Compound Name6-methoxy-N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine;hydrochloride
PubChem CID66986364
Molecular FormulaC25H31ClN2O2
Molecular Weight426.99 g/mol
Exact Mass426.21
IUPAC Name6-methoxy-N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine;hydrochloride
SMILESCOc1ccc2[nH]c3c(c2c1)CCOC31CCC(c2ccccc2)(N(C)C)CC1.Cl
InChIInChI=1S/C25H30N2O2.ClH/c1-27(2)24(18-7-5-4-6-8-18)12-14-25(15-13-24)23-20(11-16-29-25)21-17-19(28-3)9-10-22(21)26-23;/h4-10,17,26H,11-16H2,1-3H3;1H
InChIKeyFDFLFJKAMLZRLE-UHFFFAOYSA-N
XLogP5.40
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.99
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine;hydrochloride?
The IUPAC name of 6-methoxy-N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine;hydrochloride (CID 66986364) is 6-methoxy-N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine;hydrochloride.
What is the SMILES notation for 6-methoxy-N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine;hydrochloride?
The canonical SMILES for 6-methoxy-N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine;hydrochloride is COc1ccc2[nH]c3c(c2c1)CCOC31CCC(c2ccccc2)(N(C)C)CC1.Cl.
What is the InChIKey of 6-methoxy-N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine;hydrochloride?
The InChIKey is FDFLFJKAMLZRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2.ClH/c1-27(2)24(18-7-5-4-6-8-18)12-14-25(15-13-24)23-20(11-16-29-25)21-17-19(28-3)9-10-22(21)26-23;/h4-10,17,26H,11-16H2,1-3H3;1H.
What are the key properties of 6-methoxy-N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine;hydrochloride?
6-methoxy-N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine;hydrochloride has a molecular weight of 426.99 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine;hydrochloride is sourced from PubChem (CID 66986364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).