N-[2-(4-methoxyphenyl)ethyl]adamantan-2-amine

C19H27NO — CID 783887

IUPACN-[2-(4-methoxyphenyl)ethyl]adamantan-2-amine
SMILESCOc1ccc(CCNC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C19H27NO/c1-21-18-4-2-13(3-5-18)6-7-20-19-16-9-14-8-15(11-16)12-17(19)10-14/h2-5,14-17,19-20H,6-12H2,1H3
InChIKeySZMDMWBJUKDRMG-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.65
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]adamantan-2-amine

N-[2-(4-methoxyphenyl)ethyl]adamantan-2-amine (PubChem CID 783887) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]adamantan-2-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]adamantan-2-amine
PubChem CID783887
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]adamantan-2-amine
SMILESCOc1ccc(CCNC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C19H27NO/c1-21-18-4-2-13(3-5-18)6-7-20-19-16-9-14-8-15(11-16)12-17(19)10-14/h2-5,14-17,19-20H,6-12H2,1H3
InChIKeySZMDMWBJUKDRMG-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-methoxyphenyl)ethyl]adamantane
CID 158701742
(1R,2S,4S)-N-[2-(4-methoxyphenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 784416
N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 43082252
N-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-amine
CID 118993498
N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride
CID 23106150
3-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclobutan-1-ol
CID 66005906
trans-(1R,3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
CID 784361
N-[2-(4-methoxyphenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472958
trans-(1R,2R)-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 791634
1-ethyl-N-[2-(4-methoxyphenyl)ethyl]piperidin-4-amine
CID 3824332
N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103775345
4-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 106133202

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]adamantan-2-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]adamantan-2-amine (CID 783887) is N-[2-(4-methoxyphenyl)ethyl]adamantan-2-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]adamantan-2-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]adamantan-2-amine is COc1ccc(CCNC2C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]adamantan-2-amine?
The InChIKey is SZMDMWBJUKDRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-21-18-4-2-13(3-5-18)6-7-20-19-16-9-14-8-15(11-16)12-17(19)10-14/h2-5,14-17,19-20H,6-12H2,1H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]adamantan-2-amine?
N-[2-(4-methoxyphenyl)ethyl]adamantan-2-amine has a molecular weight of 285.43 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]adamantan-2-amine is sourced from PubChem (CID 783887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).