CID 16686302

C15H16AlNO — CID 16686302

IUPAC—
SMILESOC(CN([Al])Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H16NO.Al/c17-15(14-9-5-2-6-10-14)12-16-11-13-7-3-1-4-8-13;/h1-10,15,17H,11-12H2;/q-1;+1
InChIKeyNLUDPZGTVUWVAI-UHFFFAOYSA-N
MW253.28 g/mol
LogP2.31
Rot. Bonds5

About CID 16686302

CID 16686302 (PubChem CID 16686302) has the molecular formula C15H16AlNO and a molecular weight of 253.28 g/mol.

Molecular Properties

Compound NameCID 16686302
PubChem CID16686302
Molecular FormulaC15H16AlNO
Molecular Weight253.28 g/mol
Exact Mass253.10
IUPAC Name—
SMILESOC(CN([Al])Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H16NO.Al/c17-15(14-9-5-2-6-10-14)12-16-11-13-7-3-1-4-8-13;/h1-10,15,17H,11-12H2;/q-1;+1
InChIKeyNLUDPZGTVUWVAI-UHFFFAOYSA-N
XLogP2.31
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1,2-diphenylethanol
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N-benzyl-N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
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2-[benzyl(2-hydroxyiminopropyl)amino]-1-phenylethanol
CID 88812154
2-[benzyl(thiophen-2-ylmethyl)amino]-1-phenylethanol
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2-[benzyl(methyl)amino]-1-phenylethanol;2-[benzyl(methyl)amino]-2-phenylethanol
CID 110192818
2-[(4-methylphenyl)methyl-propan-2-ylamino]-1-phenylethanol
CID 46007541
N-benzyl-3-chloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide
CID 166230597
tert-butyl N-benzyl-N-[(2S)-2-hydroxy-2-phenylethyl]carbamate
CID 102250627
2-[benzyl(ethyl)amino]-1-pyridin-4-ylethanol
CID 112501695
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
2-(dibenzylamino)-1-phenylethanethiol
CID 134972021
2-[benzhydryl(methyl)amino]-1-phenylethanol
CID 3505407

Frequently Asked Questions

What is the IUPAC name of CID 16686302?
The IUPAC name of CID 16686302 (CID 16686302) is not available.
What is the SMILES notation for CID 16686302?
The canonical SMILES for CID 16686302 is OC(CN([Al])Cc1ccccc1)c1ccccc1.
What is the InChIKey of CID 16686302?
The InChIKey is NLUDPZGTVUWVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16NO.Al/c17-15(14-9-5-2-6-10-14)12-16-11-13-7-3-1-4-8-13;/h1-10,15,17H,11-12H2;/q-1;+1.
What are the key properties of CID 16686302?
CID 16686302 has a molecular weight of 253.28 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 16686302 is sourced from PubChem (CID 16686302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).