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

C21H24N2O — CID 12891865

IUPACN,N-dimethyl-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESCN(C)C1CCc2[nH]c3cccc(OCc4ccccc4)c3c2C1
InChIInChI=1S/C21H24N2O/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
InChIKeyUNIOXHMXEMYOFI-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.17
Rot. Bonds4

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

N,N-dimethyl-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine (PubChem CID 12891865) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is N,N-dimethyl-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine
PubChem CID12891865
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC NameN,N-dimethyl-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESCN(C)C1CCc2[nH]c3cccc(OCc4ccccc4)c3c2C1
InChIInChI=1S/C21H24N2O/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
InChIKeyUNIOXHMXEMYOFI-UHFFFAOYSA-N
XLogP4.17
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.17
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?
The IUPAC name of N,N-dimethyl-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine (CID 12891865) is N,N-dimethyl-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine.
What is the SMILES notation for N,N-dimethyl-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The canonical SMILES for N,N-dimethyl-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine is CN(C)C1CCc2[nH]c3cccc(OCc4ccccc4)c3c2C1.
What is the InChIKey of N,N-dimethyl-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The InChIKey is UNIOXHMXEMYOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/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.
What are the key properties of N,N-dimethyl-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
N,N-dimethyl-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine has a molecular weight of 320.44 g/mol, XLogP of 4.17, 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 is sourced from PubChem (CID 12891865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).