2-[2-(3-methoxyphenyl)-2-adamantyl]ethanamine;hydrochloride

C19H28ClNO — CID 22609669

IUPAC2-[2-(3-methoxyphenyl)-2-adamantyl]ethanamine;hydrochloride
SMILESCOc1cccc(C2(CCN)C3CC4CC(C3)CC2C4)c1.Cl
InChIInChI=1S/C19H27NO.ClH/c1-21-18-4-2-3-15(12-18)19(5-6-20)16-8-13-7-14(10-16)11-17(19)9-13;/h2-4,12-14,16-17H,5-11,20H2,1H3;1H
InChIKeyOVKAPGZMTCEMEI-UHFFFAOYSA-N
MW321.89 g/mol
LogP4.16
Rot. Bonds4

About 2-[2-(3-methoxyphenyl)-2-adamantyl]ethanamine;hydrochloride

2-[2-(3-methoxyphenyl)-2-adamantyl]ethanamine;hydrochloride (PubChem CID 22609669) has the molecular formula C19H28ClNO and a molecular weight of 321.89 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)-2-adamantyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)-2-adamantyl]ethanamine;hydrochloride
PubChem CID22609669
Molecular FormulaC19H28ClNO
Molecular Weight321.89 g/mol
Exact Mass321.19
IUPAC Name2-[2-(3-methoxyphenyl)-2-adamantyl]ethanamine;hydrochloride
SMILESCOc1cccc(C2(CCN)C3CC4CC(C3)CC2C4)c1.Cl
InChIInChI=1S/C19H27NO.ClH/c1-21-18-4-2-3-15(12-18)19(5-6-20)16-8-13-7-14(10-16)11-17(19)9-13;/h2-4,12-14,16-17H,5-11,20H2,1H3;1H
InChIKeyOVKAPGZMTCEMEI-UHFFFAOYSA-N
XLogP4.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.89
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)-2-adamantyl]ethanamine;hydrochloride?
The IUPAC name of 2-[2-(3-methoxyphenyl)-2-adamantyl]ethanamine;hydrochloride (CID 22609669) is 2-[2-(3-methoxyphenyl)-2-adamantyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)-2-adamantyl]ethanamine;hydrochloride?
The canonical SMILES for 2-[2-(3-methoxyphenyl)-2-adamantyl]ethanamine;hydrochloride is COc1cccc(C2(CCN)C3CC4CC(C3)CC2C4)c1.Cl.
What is the InChIKey of 2-[2-(3-methoxyphenyl)-2-adamantyl]ethanamine;hydrochloride?
The InChIKey is OVKAPGZMTCEMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO.ClH/c1-21-18-4-2-3-15(12-18)19(5-6-20)16-8-13-7-14(10-16)11-17(19)9-13;/h2-4,12-14,16-17H,5-11,20H2,1H3;1H.
What are the key properties of 2-[2-(3-methoxyphenyl)-2-adamantyl]ethanamine;hydrochloride?
2-[2-(3-methoxyphenyl)-2-adamantyl]ethanamine;hydrochloride has a molecular weight of 321.89 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)-2-adamantyl]ethanamine;hydrochloride is sourced from PubChem (CID 22609669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).