2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-2H-naphthalen-1-ol

C22H25NO — CID 139949801

IUPAC2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-2H-naphthalen-1-ol
SMILESCCC1(O)c2ccccc2C=CC1C=Cc1ccc(N(C)C)cc1
InChIInChI=1S/C22H25NO/c1-4-22(24)19(14-12-18-7-5-6-8-21(18)22)13-9-17-10-15-20(16-11-17)23(2)3/h5-16,19,24H,4H2,1-3H3
InChIKeyKLPCSOAKYPSJFE-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.71
Rot. Bonds4

About 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-2H-naphthalen-1-ol

2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-2H-naphthalen-1-ol (PubChem CID 139949801) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-2H-naphthalen-1-ol.

Molecular Properties

Compound Name2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-2H-naphthalen-1-ol
PubChem CID139949801
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-2H-naphthalen-1-ol
SMILESCCC1(O)c2ccccc2C=CC1C=Cc1ccc(N(C)C)cc1
InChIInChI=1S/C22H25NO/c1-4-22(24)19(14-12-18-7-5-6-8-21(18)22)13-9-17-10-15-20(16-11-17)23(2)3/h5-16,19,24H,4H2,1-3H3
InChIKeyKLPCSOAKYPSJFE-UHFFFAOYSA-N
XLogP4.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline
CID 58612965
4-N-[4-[(E)-2-[4-[(E)-2-[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-N-[4-(dimethylamino)phenyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 166784252
N,N-dimethyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline
CID 6015156
N,N-dimethyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]aniline
CID 10875699
4-[2-[4-(dimethylamino)phenyl]ethenyl]-2-methyl-2-naphthalen-1-ylpyridine-1-sulfonic acid
CID 175300636
3-[4-(dimethylamino)phenyl]prop-2-en-1-ol
CID 53395716
4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline
CID 71427638
N,N-dimethyl-4-[(E)-3-phenylprop-1-enyl]aniline
CID 10728588
CID 173417054
CID 173417054
bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanol
CID 15868831

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-2H-naphthalen-1-ol?
The IUPAC name of 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-2H-naphthalen-1-ol (CID 139949801) is 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-2H-naphthalen-1-ol.
What is the SMILES notation for 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-2H-naphthalen-1-ol?
The canonical SMILES for 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-2H-naphthalen-1-ol is CCC1(O)c2ccccc2C=CC1C=Cc1ccc(N(C)C)cc1.
What is the InChIKey of 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-2H-naphthalen-1-ol?
The InChIKey is KLPCSOAKYPSJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-4-22(24)19(14-12-18-7-5-6-8-21(18)22)13-9-17-10-15-20(16-11-17)23(2)3/h5-16,19,24H,4H2,1-3H3.
What are the key properties of 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-2H-naphthalen-1-ol?
2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-2H-naphthalen-1-ol has a molecular weight of 319.45 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-2H-naphthalen-1-ol is sourced from PubChem (CID 139949801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).