2-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]propan-2-ol

C21H25NO — CID 141067455

IUPAC2-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]propan-2-ol
SMILESCN(C)CC1=CC(c2ccc3ccccc3c2C(C)(C)O)C=C1
InChIInChI=1S/C21H25NO/c1-21(2,23)20-18-8-6-5-7-16(18)11-12-19(20)17-10-9-15(13-17)14-22(3)4/h5-13,17,23H,14H2,1-4H3
InChIKeyANWUUVNTUDKIRU-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.21
Rot. Bonds4

About 2-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]propan-2-ol

2-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]propan-2-ol (PubChem CID 141067455) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]propan-2-ol
PubChem CID141067455
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name2-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]propan-2-ol
SMILESCN(C)CC1=CC(c2ccc3ccccc3c2C(C)(C)O)C=C1
InChIInChI=1S/C21H25NO/c1-21(2,23)20-18-8-6-5-7-16(18)11-12-19(20)17-10-9-15(13-17)14-22(3)4/h5-13,17,23H,14H2,1-4H3
InChIKeyANWUUVNTUDKIRU-UHFFFAOYSA-N
XLogP4.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]propan-2-ol?
The IUPAC name of 2-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]propan-2-ol (CID 141067455) is 2-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]propan-2-ol?
The canonical SMILES for 2-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]propan-2-ol is CN(C)CC1=CC(c2ccc3ccccc3c2C(C)(C)O)C=C1.
What is the InChIKey of 2-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]propan-2-ol?
The InChIKey is ANWUUVNTUDKIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-21(2,23)20-18-8-6-5-7-16(18)11-12-19(20)17-10-9-15(13-17)14-22(3)4/h5-13,17,23H,14H2,1-4H3.
What are the key properties of 2-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]propan-2-ol?
2-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]propan-2-ol has a molecular weight of 307.44 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]propan-2-ol is sourced from PubChem (CID 141067455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).