1-[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]ethanol

C20H23NO — CID 141067090

IUPAC1-[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]ethanol
SMILESCC(O)c1c(C2C=CC=C2CN(C)C)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/h4-12,14,17,22H,13H2,1-3H3
InChIKeyUUCHQMYQEWAJEC-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.03
Rot. Bonds4

About 1-[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]ethanol

1-[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]ethanol (PubChem CID 141067090) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]ethanol.

Molecular Properties

Compound Name1-[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]ethanol
PubChem CID141067090
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name1-[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]ethanol
SMILESCC(O)c1c(C2C=CC=C2CN(C)C)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/h4-12,14,17,22H,13H2,1-3H3
InChIKeyUUCHQMYQEWAJEC-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
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-2,4-dien-1-yl]naphthalen-1-yl]ethanol?
The IUPAC name of 1-[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]ethanol (CID 141067090) is 1-[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]ethanol.
What is the SMILES notation for 1-[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]ethanol?
The canonical SMILES for 1-[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]ethanol is CC(O)c1c(C2C=CC=C2CN(C)C)ccc2ccccc12.
What is the InChIKey of 1-[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]ethanol?
The InChIKey is UUCHQMYQEWAJEC-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/h4-12,14,17,22H,13H2,1-3H3.
What are the key properties of 1-[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]ethanol?
1-[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]ethanol has a molecular weight of 293.41 g/mol, XLogP of 4.03, 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-2,4-dien-1-yl]naphthalen-1-yl]ethanol is sourced from PubChem (CID 141067090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).