(S)-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-phenylmethanol

C15H19NO — CID 100992874

IUPAC(S)-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-phenylmethanol
SMILESCN(C)CC1=CC=CC1[C@H](O)c1ccccc1
InChIInChI=1S/C15H19NO/c1-16(2)11-13-9-6-10-14(13)15(17)12-7-4-3-5-8-12/h3-10,14-15,17H,11H2,1-2H3/t14?,15-/m1/s1
InChIKeyMIYIWUFJTOBUAV-YSSOQSIOSA-N
MW229.32 g/mol
LogP2.39
Rot. Bonds4

About (S)-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-phenylmethanol

(S)-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-phenylmethanol (PubChem CID 100992874) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (S)-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-phenylmethanol.

Molecular Properties

Compound Name(S)-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-phenylmethanol
PubChem CID100992874
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(S)-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-phenylmethanol
SMILESCN(C)CC1=CC=CC1[C@H](O)c1ccccc1
InChIInChI=1S/C15H19NO/c1-16(2)11-13-9-6-10-14(13)15(17)12-7-4-3-5-8-12/h3-10,14-15,17H,11H2,1-2H3/t14?,15-/m1/s1
InChIKeyMIYIWUFJTOBUAV-YSSOQSIOSA-N
XLogP2.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2-benzhydrylphenyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine
CID 175242182
[(2-ethylcyclopenta-2,4-dien-1-yl)-phenylmethyl]benzene
CID 141345784
(1S)-1-[2-[(R)-dimethylamino(phenyl)methyl]cyclopenta-2,4-dien-1-yl]ethanol
CID 101152941
(R)-[2-[(dimethylamino)methyl]phenyl]-phenylmethanol
CID 2054209
1-[(2-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene
CID 141345883
N,N-dimethyl-1-[4-(1-phenylethyl)phenyl]methanamine
CID 83382566
(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol
CID 102595877
2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
CID 10734
(2R)-2-(dimethylamino)-2-phenylethanol
CID 10888273
1-[(2-ethylcyclopenta-2,4-dien-1-yl)-(3-methylphenyl)methyl]-3-methylbenzene
CID 141345910
(2S)-2-[(1R,2R)-2-[(R)-hydroxy(phenyl)methyl]cyclopropyl]propan-1-ol
CID 10584418
(1R,2R)-2-amino-3-(dimethylamino)-1-phenylpropan-1-ol
CID 58420104

Frequently Asked Questions

What is the IUPAC name of (S)-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-phenylmethanol?
The IUPAC name of (S)-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-phenylmethanol (CID 100992874) is (S)-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-phenylmethanol.
What is the SMILES notation for (S)-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-phenylmethanol?
The canonical SMILES for (S)-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-phenylmethanol is CN(C)CC1=CC=CC1[C@H](O)c1ccccc1.
What is the InChIKey of (S)-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-phenylmethanol?
The InChIKey is MIYIWUFJTOBUAV-YSSOQSIOSA-N. The full InChI is InChI=1S/C15H19NO/c1-16(2)11-13-9-6-10-14(13)15(17)12-7-4-3-5-8-12/h3-10,14-15,17H,11H2,1-2H3/t14?,15-/m1/s1.
What are the key properties of (S)-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-phenylmethanol?
(S)-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-phenylmethanol has a molecular weight of 229.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-phenylmethanol is sourced from PubChem (CID 100992874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).