N,N-dimethyl-2-phenyl-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine;hydrochloride

C19H21ClN2 — CID 19348307

IUPACN,N-dimethyl-2-phenyl-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine;hydrochloride
SMILESCN(C)C1CCc2c(-c3ccccc3)[nH]c3cccc1c23.Cl
InChIInChI=1S/C19H20N2.ClH/c1-21(2)17-12-11-15-18-14(17)9-6-10-16(18)20-19(15)13-7-4-3-5-8-13;/h3-10,17,20H,11-12H2,1-2H3;1H
InChIKeyHQURRAHZFGKQCG-UHFFFAOYSA-N
MW312.84 g/mol
LogP4.81
Rot. Bonds2

About N,N-dimethyl-2-phenyl-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine;hydrochloride

N,N-dimethyl-2-phenyl-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine;hydrochloride (PubChem CID 19348307) has the molecular formula C19H21ClN2 and a molecular weight of 312.84 g/mol. Its IUPAC name is N,N-dimethyl-2-phenyl-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-2-phenyl-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine;hydrochloride
PubChem CID19348307
Molecular FormulaC19H21ClN2
Molecular Weight312.84 g/mol
Exact Mass312.14
IUPAC NameN,N-dimethyl-2-phenyl-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine;hydrochloride
SMILESCN(C)C1CCc2c(-c3ccccc3)[nH]c3cccc1c23.Cl
InChIInChI=1S/C19H20N2.ClH/c1-21(2)17-12-11-15-18-14(17)9-6-10-16(18)20-19(15)13-7-4-3-5-8-13;/h3-10,17,20H,11-12H2,1-2H3;1H
InChIKeyHQURRAHZFGKQCG-UHFFFAOYSA-N
XLogP4.81
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-phenyl-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-2-phenyl-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine;hydrochloride (CID 19348307) is N,N-dimethyl-2-phenyl-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-2-phenyl-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-2-phenyl-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine;hydrochloride is CN(C)C1CCc2c(-c3ccccc3)[nH]c3cccc1c23.Cl.
What is the InChIKey of N,N-dimethyl-2-phenyl-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine;hydrochloride?
The InChIKey is HQURRAHZFGKQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2.ClH/c1-21(2)17-12-11-15-18-14(17)9-6-10-16(18)20-19(15)13-7-4-3-5-8-13;/h3-10,17,20H,11-12H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-2-phenyl-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine;hydrochloride?
N,N-dimethyl-2-phenyl-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-phenyl-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine;hydrochloride is sourced from PubChem (CID 19348307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).