[2-[2-(1-adamantylcarbamoyloxy)ethyl]phenyl]azanium chloride

C19H27ClN2O2 — CID 156612638

IUPAC[2-[2-(1-adamantylcarbamoyloxy)ethyl]phenyl]azanium chloride
SMILES[Cl-].[NH3+]c1ccccc1CCOC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H26N2O2.ClH/c20-17-4-2-1-3-16(17)5-6-23-18(22)21-19-10-13-7-14(11-19)9-15(8-13)12-19;/h1-4,13-15H,5-12,20H2,(H,21,22);1H
InChIKeyUVGKCRRKPCZLAD-UHFFFAOYSA-N
MW350.89 g/mol
LogP-0.20
Rot. Bonds4

About [2-[2-(1-adamantylcarbamoyloxy)ethyl]phenyl]azanium chloride

[2-[2-(1-adamantylcarbamoyloxy)ethyl]phenyl]azanium chloride (PubChem CID 156612638) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is [2-[2-(1-adamantylcarbamoyloxy)ethyl]phenyl]azanium chloride.

Molecular Properties

Compound Name[2-[2-(1-adamantylcarbamoyloxy)ethyl]phenyl]azanium chloride
PubChem CID156612638
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Name[2-[2-(1-adamantylcarbamoyloxy)ethyl]phenyl]azanium chloride
SMILES[Cl-].[NH3+]c1ccccc1CCOC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H26N2O2.ClH/c20-17-4-2-1-3-16(17)5-6-23-18(22)21-19-10-13-7-14(11-19)9-15(8-13)12-19;/h1-4,13-15H,5-12,20H2,(H,21,22);1H
InChIKeyUVGKCRRKPCZLAD-UHFFFAOYSA-N
XLogP-0.20
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantylcarbamoyloxy)ethyl-phenylazanium
CID 7060496
2-(2-chloroethoxy)ethyl N-(1-adamantyl)carbamate
CID 103970598
[4-(1-adamantylcarbamoyloxy)phenyl] N-(1-adamantyl)carbamate
CID 118586680
benzyl N-[(3S)-4-amino-1-adamantyl]carbamate;hydrochloride
CID 66863334
N-(1-adamantyl)-2-(2-nitrophenyl)acetamide
CID 27650254
[2-(1-adamantylamino)-2-oxoethyl] 2-phenylacetate
CID 3502663
[1-(1-adamantylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 42902130
N-(1-adamantyl)-4-(2-aminophenoxy)butanamide
CID 84555980
1-(1-adamantyl)-3-[(2-chlorophenyl)methyl]thiourea
CID 2817295
11-(1-adamantylcarbamoyloxy)-1,1-difluoroundecane-1-sulfonate
CID 59602613
ethyl 2-(1-adamantylcarbamoylamino)benzoate
CID 108895961
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-phenylacetate
CID 7874624

Frequently Asked Questions

What is the IUPAC name of [2-[2-(1-adamantylcarbamoyloxy)ethyl]phenyl]azanium chloride?
The IUPAC name of [2-[2-(1-adamantylcarbamoyloxy)ethyl]phenyl]azanium chloride (CID 156612638) is [2-[2-(1-adamantylcarbamoyloxy)ethyl]phenyl]azanium chloride.
What is the SMILES notation for [2-[2-(1-adamantylcarbamoyloxy)ethyl]phenyl]azanium chloride?
The canonical SMILES for [2-[2-(1-adamantylcarbamoyloxy)ethyl]phenyl]azanium chloride is [Cl-].[NH3+]c1ccccc1CCOC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-[2-(1-adamantylcarbamoyloxy)ethyl]phenyl]azanium chloride?
The InChIKey is UVGKCRRKPCZLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2.ClH/c20-17-4-2-1-3-16(17)5-6-23-18(22)21-19-10-13-7-14(11-19)9-15(8-13)12-19;/h1-4,13-15H,5-12,20H2,(H,21,22);1H.
What are the key properties of [2-[2-(1-adamantylcarbamoyloxy)ethyl]phenyl]azanium chloride?
[2-[2-(1-adamantylcarbamoyloxy)ethyl]phenyl]azanium chloride has a molecular weight of 350.89 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(1-adamantylcarbamoyloxy)ethyl]phenyl]azanium chloride is sourced from PubChem (CID 156612638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).