(1S)-1-[2-[(R)-dimethylamino(phenyl)methyl]cyclopenta-2,4-dien-1-yl]ethanol

C16H21NO — CID 101152941

IUPAC(1S)-1-[2-[(R)-dimethylamino(phenyl)methyl]cyclopenta-2,4-dien-1-yl]ethanol
SMILESC[C@H](O)C1C=CC=C1[C@@H](c1ccccc1)N(C)C
InChIInChI=1S/C16H21NO/c1-12(18)14-10-7-11-15(14)16(17(2)3)13-8-5-4-6-9-13/h4-12,14,16,18H,1-3H3/t12-,14?,16+/m0/s1
InChIKeyCKBNOPMTSXGVCN-RAAOQPIXSA-N
MW243.35 g/mol
LogP2.78
Rot. Bonds4

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

(1S)-1-[2-[(R)-dimethylamino(phenyl)methyl]cyclopenta-2,4-dien-1-yl]ethanol (PubChem CID 101152941) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (1S)-1-[2-[(R)-dimethylamino(phenyl)methyl]cyclopenta-2,4-dien-1-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[(R)-dimethylamino(phenyl)methyl]cyclopenta-2,4-dien-1-yl]ethanol
PubChem CID101152941
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(1S)-1-[2-[(R)-dimethylamino(phenyl)methyl]cyclopenta-2,4-dien-1-yl]ethanol
SMILESC[C@H](O)C1C=CC=C1[C@@H](c1ccccc1)N(C)C
InChIInChI=1S/C16H21NO/c1-12(18)14-10-7-11-15(14)16(17(2)3)13-8-5-4-6-9-13/h4-12,14,16,18H,1-3H3/t12-,14?,16+/m0/s1
InChIKeyCKBNOPMTSXGVCN-RAAOQPIXSA-N
XLogP2.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-phenylmethanol
CID 100992874
1-[2-[dimethylamino(phenyl)methyl]phenyl]-N,N-dimethyl-1-phenylmethanamine
CID 139888809
(1S)-1-[5-bis[2,4-bis(trifluoromethyl)phenyl]phosphanylcyclopenta-1,3-dien-1-yl]-N,N-dimethyl-1-phenylmethanamine
CID 101390430
[2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]-diphenylmethanol
CID 102351824
[(2-ethylcyclopenta-2,4-dien-1-yl)-phenylmethyl]benzene
CID 141345784
N,N-dimethyl-1-(4-methylphenyl)-1-phenylmethanamine
CID 102196523
(1S)-1-(2-iodocyclopenta-2,4-dien-1-yl)ethanol
CID 87894089
(1S,2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 3041454
(2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 163285620
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
molecular hydrogen;1-[5-[(1S)-1-phenylethyl]cyclopenta-1,3-dien-1-yl]prop-2-en-1-one
CID 143109545
N,N-dimethyl-2,2-diphenylacetamide
CID 19693860

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(R)-dimethylamino(phenyl)methyl]cyclopenta-2,4-dien-1-yl]ethanol?
The IUPAC name of (1S)-1-[2-[(R)-dimethylamino(phenyl)methyl]cyclopenta-2,4-dien-1-yl]ethanol (CID 101152941) is (1S)-1-[2-[(R)-dimethylamino(phenyl)methyl]cyclopenta-2,4-dien-1-yl]ethanol.
What is the SMILES notation for (1S)-1-[2-[(R)-dimethylamino(phenyl)methyl]cyclopenta-2,4-dien-1-yl]ethanol?
The canonical SMILES for (1S)-1-[2-[(R)-dimethylamino(phenyl)methyl]cyclopenta-2,4-dien-1-yl]ethanol is C[C@H](O)C1C=CC=C1[C@@H](c1ccccc1)N(C)C.
What is the InChIKey of (1S)-1-[2-[(R)-dimethylamino(phenyl)methyl]cyclopenta-2,4-dien-1-yl]ethanol?
The InChIKey is CKBNOPMTSXGVCN-RAAOQPIXSA-N. The full InChI is InChI=1S/C16H21NO/c1-12(18)14-10-7-11-15(14)16(17(2)3)13-8-5-4-6-9-13/h4-12,14,16,18H,1-3H3/t12-,14?,16+/m0/s1.
What are the key properties of (1S)-1-[2-[(R)-dimethylamino(phenyl)methyl]cyclopenta-2,4-dien-1-yl]ethanol?
(1S)-1-[2-[(R)-dimethylamino(phenyl)methyl]cyclopenta-2,4-dien-1-yl]ethanol has a molecular weight of 243.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(R)-dimethylamino(phenyl)methyl]cyclopenta-2,4-dien-1-yl]ethanol is sourced from PubChem (CID 101152941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).