2-[(1S)-9-ethyl-1-methyl-3,4-dihydro-2H-carbazol-1-yl]-N,N-dimethylethanamine;hydrochloride

C19H29ClN2 — CID 172866716

IUPAC2-[(1S)-9-ethyl-1-methyl-3,4-dihydro-2H-carbazol-1-yl]-N,N-dimethylethanamine;hydrochloride
SMILESCCn1c2c(c3ccccc31)CCC[C@@]2(C)CCN(C)C.Cl
InChIInChI=1S/C19H28N2.ClH/c1-5-21-17-11-7-6-9-15(17)16-10-8-12-19(2,18(16)21)13-14-20(3)4;/h6-7,9,11H,5,8,10,12-14H2,1-4H3;1H/t19-;/m0./s1
InChIKeySQOXWACCTYNDBA-FYZYNONXSA-N
MW320.91 g/mol
LogP4.63
Rot. Bonds4

About 2-[(1S)-9-ethyl-1-methyl-3,4-dihydro-2H-carbazol-1-yl]-N,N-dimethylethanamine;hydrochloride

2-[(1S)-9-ethyl-1-methyl-3,4-dihydro-2H-carbazol-1-yl]-N,N-dimethylethanamine;hydrochloride (PubChem CID 172866716) has the molecular formula C19H29ClN2 and a molecular weight of 320.91 g/mol. Its IUPAC name is 2-[(1S)-9-ethyl-1-methyl-3,4-dihydro-2H-carbazol-1-yl]-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[(1S)-9-ethyl-1-methyl-3,4-dihydro-2H-carbazol-1-yl]-N,N-dimethylethanamine;hydrochloride
PubChem CID172866716
Molecular FormulaC19H29ClN2
Molecular Weight320.91 g/mol
Exact Mass320.20
IUPAC Name2-[(1S)-9-ethyl-1-methyl-3,4-dihydro-2H-carbazol-1-yl]-N,N-dimethylethanamine;hydrochloride
SMILESCCn1c2c(c3ccccc31)CCC[C@@]2(C)CCN(C)C.Cl
InChIInChI=1S/C19H28N2.ClH/c1-5-21-17-11-7-6-9-15(17)16-10-8-12-19(2,18(16)21)13-14-20(3)4;/h6-7,9,11H,5,8,10,12-14H2,1-4H3;1H/t19-;/m0./s1
InChIKeySQOXWACCTYNDBA-FYZYNONXSA-N
XLogP4.63
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.91
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-9-ethyl-1-methyl-3,4-dihydro-2H-carbazol-1-yl]-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-[(1S)-9-ethyl-1-methyl-3,4-dihydro-2H-carbazol-1-yl]-N,N-dimethylethanamine;hydrochloride (CID 172866716) is 2-[(1S)-9-ethyl-1-methyl-3,4-dihydro-2H-carbazol-1-yl]-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-[(1S)-9-ethyl-1-methyl-3,4-dihydro-2H-carbazol-1-yl]-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-[(1S)-9-ethyl-1-methyl-3,4-dihydro-2H-carbazol-1-yl]-N,N-dimethylethanamine;hydrochloride is CCn1c2c(c3ccccc31)CCC[C@@]2(C)CCN(C)C.Cl.
What is the InChIKey of 2-[(1S)-9-ethyl-1-methyl-3,4-dihydro-2H-carbazol-1-yl]-N,N-dimethylethanamine;hydrochloride?
The InChIKey is SQOXWACCTYNDBA-FYZYNONXSA-N. The full InChI is InChI=1S/C19H28N2.ClH/c1-5-21-17-11-7-6-9-15(17)16-10-8-12-19(2,18(16)21)13-14-20(3)4;/h6-7,9,11H,5,8,10,12-14H2,1-4H3;1H/t19-;/m0./s1.
What are the key properties of 2-[(1S)-9-ethyl-1-methyl-3,4-dihydro-2H-carbazol-1-yl]-N,N-dimethylethanamine;hydrochloride?
2-[(1S)-9-ethyl-1-methyl-3,4-dihydro-2H-carbazol-1-yl]-N,N-dimethylethanamine;hydrochloride has a molecular weight of 320.91 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-9-ethyl-1-methyl-3,4-dihydro-2H-carbazol-1-yl]-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 172866716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).