[2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]-diphenylmethanol

C22H25NO — CID 102351824

IUPAC[2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]-diphenylmethanol
SMILESC[C@@H](C1=CC=CC1C(O)(c1ccccc1)c1ccccc1)N(C)C
InChIInChI=1S/C22H25NO/c1-17(23(2)3)20-15-10-16-21(20)22(24,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-17,21,24H,1-3H3/t17-,21?/m0/s1
InChIKeyIYWLNXZSVWRYPO-PBVYKCSPSA-N
MW319.45 g/mol
LogP3.98
Rot. Bonds5

About [2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]-diphenylmethanol

[2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]-diphenylmethanol (PubChem CID 102351824) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is [2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]-diphenylmethanol.

Molecular Properties

Compound Name[2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]-diphenylmethanol
PubChem CID102351824
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name[2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]-diphenylmethanol
SMILESC[C@@H](C1=CC=CC1C(O)(c1ccccc1)c1ccccc1)N(C)C
InChIInChI=1S/C22H25NO/c1-17(23(2)3)20-15-10-16-21(20)22(24,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-17,21,24H,1-3H3/t17-,21?/m0/s1
InChIKeyIYWLNXZSVWRYPO-PBVYKCSPSA-N
XLogP3.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-diphenylmethyl]benzene
CID 141345904
(1S)-1-[5-[[2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]diselanyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine
CID 15204285
(1S)-1-[2-[(R)-dimethylamino(phenyl)methyl]cyclopenta-2,4-dien-1-yl]ethanol
CID 101152941
[5-(dimethylamino)cyclopenta-1,3-dien-1-yl]-diphenylmethanol
CID 87353390
[(1R,3S)-3-[(dimethylamino)methyl]-2,2-dimethylcyclopropyl]-diphenylmethanol
CID 139071266
1-cyclopenta-2,4-dien-1-yl-1-phenylethanol
CID 12574787
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
1-[(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-bis(3-methylphenyl)methyl]-3-methylbenzene
CID 141345898
(1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride
CID 141121906
(1S)-1-[(4R,5R)-5-[(1R)-1-hydroxy-2-methyl-1-phenylpropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-1-phenylpropan-1-ol
CID 134971352
[diphenyl-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene
CID 141345838
[2-(dimethylamino)cyclohexyl]-diphenylmethanol
CID 11971775

Frequently Asked Questions

What is the IUPAC name of [2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]-diphenylmethanol?
The IUPAC name of [2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]-diphenylmethanol (CID 102351824) is [2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]-diphenylmethanol.
What is the SMILES notation for [2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]-diphenylmethanol?
The canonical SMILES for [2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]-diphenylmethanol is C[C@@H](C1=CC=CC1C(O)(c1ccccc1)c1ccccc1)N(C)C.
What is the InChIKey of [2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]-diphenylmethanol?
The InChIKey is IYWLNXZSVWRYPO-PBVYKCSPSA-N. The full InChI is InChI=1S/C22H25NO/c1-17(23(2)3)20-15-10-16-21(20)22(24,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-17,21,24H,1-3H3/t17-,21?/m0/s1.
What are the key properties of [2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]-diphenylmethanol?
[2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]-diphenylmethanol has a molecular weight of 319.45 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]-diphenylmethanol is sourced from PubChem (CID 102351824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).