N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyladamantan-2-amine

C21H31NO2 — CID 783806

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyladamantan-2-amine
SMILESCOc1ccc(CCN(C)C2C3CC4CC(C3)CC2C4)cc1OC
InChIInChI=1S/C21H31NO2/c1-22(7-6-14-4-5-19(23-2)20(13-14)24-3)21-17-9-15-8-16(11-17)12-18(21)10-15/h4-5,13,15-18,21H,6-12H2,1-3H3
InChIKeyVEZXLXXUIXEVOQ-UHFFFAOYSA-N
MW329.48 g/mol
LogP4.00
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyladamantan-2-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyladamantan-2-amine (PubChem CID 783806) has the molecular formula C21H31NO2 and a molecular weight of 329.48 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyladamantan-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyladamantan-2-amine
PubChem CID783806
Molecular FormulaC21H31NO2
Molecular Weight329.48 g/mol
Exact Mass329.24
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyladamantan-2-amine
SMILESCOc1ccc(CCN(C)C2C3CC4CC(C3)CC2C4)cc1OC
InChIInChI=1S/C21H31NO2/c1-22(7-6-14-4-5-19(23-2)20(13-14)24-3)21-17-9-15-8-16(11-17)12-18(21)10-15/h4-5,13,15-18,21H,6-12H2,1-3H3
InChIKeyVEZXLXXUIXEVOQ-UHFFFAOYSA-N
XLogP4.00
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine
CID 18789952
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]cyclododecylidene]hydroxylamine
CID 4658554
N-(1-adamantyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 75460448
3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propane-1-thiol
CID 115225219
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-en-1-amine
CID 172866554
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] adamantane-2-carboxylate
CID 8518671
3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanenitrile
CID 10083361
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136241
2-(1-adamantyl)-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl]acetamide
CID 9468448
2-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]ethanamine
CID 124753174
5-(3,4-dimethoxyphenyl)-N,N-bis[5-(3,4-dimethoxyphenyl)pentyl]pentan-1-amine
CID 57389908
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-prop-2-ynylprop-2-yn-1-amine
CID 146368826

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyladamantan-2-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyladamantan-2-amine (CID 783806) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyladamantan-2-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyladamantan-2-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyladamantan-2-amine is COc1ccc(CCN(C)C2C3CC4CC(C3)CC2C4)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyladamantan-2-amine?
The InChIKey is VEZXLXXUIXEVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2/c1-22(7-6-14-4-5-19(23-2)20(13-14)24-3)21-17-9-15-8-16(11-17)12-18(21)10-15/h4-5,13,15-18,21H,6-12H2,1-3H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyladamantan-2-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyladamantan-2-amine has a molecular weight of 329.48 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyladamantan-2-amine is sourced from PubChem (CID 783806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).