N,N-dimethyl-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride

C21H25ClN2O — CID 23470481

IUPACN,N-dimethyl-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride
SMILESCN(C)C1CCc2[nH]c3cccc(OCc4ccccc4)c3c2C1.Cl
InChIInChI=1S/C21H24N2O.ClH/c1-23(2)16-11-12-18-17(13-16)21-19(22-18)9-6-10-20(21)24-14-15-7-4-3-5-8-15;/h3-10,16,22H,11-14H2,1-2H3;1H
InChIKeyUAHDFFJQOKNZLZ-UHFFFAOYSA-N
MW356.90 g/mol
LogP4.59
Rot. Bonds4

About N,N-dimethyl-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride

N,N-dimethyl-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride (PubChem CID 23470481) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is N,N-dimethyl-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride
PubChem CID23470481
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC NameN,N-dimethyl-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride
SMILESCN(C)C1CCc2[nH]c3cccc(OCc4ccccc4)c3c2C1.Cl
InChIInChI=1S/C21H24N2O.ClH/c1-23(2)16-11-12-18-17(13-16)21-19(22-18)9-6-10-20(21)24-14-15-7-4-3-5-8-15;/h3-10,16,22H,11-14H2,1-2H3;1H
InChIKeyUAHDFFJQOKNZLZ-UHFFFAOYSA-N
XLogP4.59
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride (CID 23470481) is N,N-dimethyl-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride is CN(C)C1CCc2[nH]c3cccc(OCc4ccccc4)c3c2C1.Cl.
What is the InChIKey of N,N-dimethyl-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride?
The InChIKey is UAHDFFJQOKNZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O.ClH/c1-23(2)16-11-12-18-17(13-16)21-19(22-18)9-6-10-20(21)24-14-15-7-4-3-5-8-15;/h3-10,16,22H,11-14H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride?
N,N-dimethyl-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride has a molecular weight of 356.90 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride is sourced from PubChem (CID 23470481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).