2-adamantyl-[(5-chloro-2-methoxyphenyl)methyl]azanium

C18H25ClNO+ — CID 8621718

IUPAC2-adamantyl-[(5-chloro-2-methoxyphenyl)methyl]azanium
SMILESCOc1ccc(Cl)cc1C[NH2+]C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H24ClNO/c1-21-17-3-2-16(19)9-15(17)10-20-18-13-5-11-4-12(7-13)8-14(18)6-11/h2-3,9,11-14,18,20H,4-8,10H2,1H3/p+1
InChIKeyRUWYUTMKPNYAHG-UHFFFAOYSA-O
MW306.86 g/mol
LogP3.24
Rot. Bonds4

About 2-adamantyl-[(5-chloro-2-methoxyphenyl)methyl]azanium

2-adamantyl-[(5-chloro-2-methoxyphenyl)methyl]azanium (PubChem CID 8621718) has the molecular formula C18H25ClNO+ and a molecular weight of 306.86 g/mol. Its IUPAC name is 2-adamantyl-[(5-chloro-2-methoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name2-adamantyl-[(5-chloro-2-methoxyphenyl)methyl]azanium
PubChem CID8621718
Molecular FormulaC18H25ClNO+
Molecular Weight306.86 g/mol
Exact Mass306.16
IUPAC Name2-adamantyl-[(5-chloro-2-methoxyphenyl)methyl]azanium
SMILESCOc1ccc(Cl)cc1C[NH2+]C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H24ClNO/c1-21-17-3-2-16(19)9-15(17)10-20-18-13-5-11-4-12(7-13)8-14(18)6-11/h2-3,9,11-14,18,20H,4-8,10H2,1H3/p+1
InChIKeyRUWYUTMKPNYAHG-UHFFFAOYSA-O
XLogP3.24
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-adamantyl-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium
CID 7924031
[(1S)-1-(1-adamantyl)ethyl]-[(5-chloro-2-methoxyphenyl)methyl]azanium
CID 8621699
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
4-chloro-2-(fluoromethyl)-1-methoxybenzene
CID 142810663
1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine
CID 115258490
1-[(5-chloro-2-methoxyphenyl)methyl]azetidin-3-amine
CID 63761103
1,3-benzodioxol-5-ylmethyl-[(5-chloro-2-methoxyphenyl)methyl]azanium
CID 7458309
3-[(5-chloro-2-methoxyphenyl)methylamino]cyclobutane-1-carboxylic acid
CID 166249845
3-bromo-8-[(5-chloro-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octane
CID 80669272
4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene
CID 66034885
1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-1-ium
CID 3949230
3-[(5-chloro-2-methoxyphenyl)methyl]morpholine
CID 82293165

Frequently Asked Questions

What is the IUPAC name of 2-adamantyl-[(5-chloro-2-methoxyphenyl)methyl]azanium?
The IUPAC name of 2-adamantyl-[(5-chloro-2-methoxyphenyl)methyl]azanium (CID 8621718) is 2-adamantyl-[(5-chloro-2-methoxyphenyl)methyl]azanium.
What is the SMILES notation for 2-adamantyl-[(5-chloro-2-methoxyphenyl)methyl]azanium?
The canonical SMILES for 2-adamantyl-[(5-chloro-2-methoxyphenyl)methyl]azanium is COc1ccc(Cl)cc1C[NH2+]C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-adamantyl-[(5-chloro-2-methoxyphenyl)methyl]azanium?
The InChIKey is RUWYUTMKPNYAHG-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H24ClNO/c1-21-17-3-2-16(19)9-15(17)10-20-18-13-5-11-4-12(7-13)8-14(18)6-11/h2-3,9,11-14,18,20H,4-8,10H2,1H3/p+1.
What are the key properties of 2-adamantyl-[(5-chloro-2-methoxyphenyl)methyl]azanium?
2-adamantyl-[(5-chloro-2-methoxyphenyl)methyl]azanium has a molecular weight of 306.86 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl-[(5-chloro-2-methoxyphenyl)methyl]azanium is sourced from PubChem (CID 8621718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).