1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol

C20H23NO — CID 68548803

IUPAC1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol
SMILESCC(O)c1c(C2=C(CN(C)C)C=CC2)ccc2ccccc12
InChIInChI=1S/C20H23NO/c1-14(22)20-18-9-5-4-7-15(18)11-12-19(20)17-10-6-8-16(17)13-21(2)3/h4-9,11-12,14,22H,10,13H2,1-3H3
InChIKeyNFDJMEFSMGOYCL-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.17
Rot. Bonds4

About 1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol

1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol (PubChem CID 68548803) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol.

Molecular Properties

Compound Name1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol
PubChem CID68548803
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol
SMILESCC(O)c1c(C2=C(CN(C)C)C=CC2)ccc2ccccc12
InChIInChI=1S/C20H23NO/c1-14(22)20-18-9-5-4-7-15(18)11-12-19(20)17-10-6-8-16(17)13-21(2)3/h4-9,11-12,14,22H,10,13H2,1-3H3
InChIKeyNFDJMEFSMGOYCL-UHFFFAOYSA-N
XLogP4.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol?
The IUPAC name of 1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol (CID 68548803) is 1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol.
What is the SMILES notation for 1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol?
The canonical SMILES for 1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol is CC(O)c1c(C2=C(CN(C)C)C=CC2)ccc2ccccc12.
What is the InChIKey of 1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol?
The InChIKey is NFDJMEFSMGOYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-14(22)20-18-9-5-4-7-15(18)11-12-19(20)17-10-6-8-16(17)13-21(2)3/h4-9,11-12,14,22H,10,13H2,1-3H3.
What are the key properties of 1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol?
1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol has a molecular weight of 293.41 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 1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol is sourced from PubChem (CID 68548803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).