N-(4-ethoxy-2-methylphenyl)adamantan-2-amine

C19H27NO — CID 63451444

IUPACN-(4-ethoxy-2-methylphenyl)adamantan-2-amine
SMILESCCOc1ccc(NC2C3CC4CC(C3)CC2C4)c(C)c1
InChIInChI=1S/C19H27NO/c1-3-21-17-4-5-18(12(2)6-17)20-19-15-8-13-7-14(10-15)11-16(19)9-13/h4-6,13-16,19-20H,3,7-11H2,1-2H3
InChIKeyZYBLZXQVNFVCEF-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.63
Rot. Bonds4

About N-(4-ethoxy-2-methylphenyl)adamantan-2-amine

N-(4-ethoxy-2-methylphenyl)adamantan-2-amine (PubChem CID 63451444) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-(4-ethoxy-2-methylphenyl)adamantan-2-amine.

Molecular Properties

Compound NameN-(4-ethoxy-2-methylphenyl)adamantan-2-amine
PubChem CID63451444
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-(4-ethoxy-2-methylphenyl)adamantan-2-amine
SMILESCCOc1ccc(NC2C3CC4CC(C3)CC2C4)c(C)c1
InChIInChI=1S/C19H27NO/c1-3-21-17-4-5-18(12(2)6-17)20-19-15-8-13-7-14(10-15)11-16(19)9-13/h4-6,13-16,19-20H,3,7-11H2,1-2H3
InChIKeyZYBLZXQVNFVCEF-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxy-2-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63451179
N-(3,5-dimethylcyclohexyl)-4-ethoxy-2-methylaniline
CID 64752605
N-(3-cyclopropylcyclohexyl)-4-ethoxy-2-methylaniline
CID 64624806
4-ethoxy-2-methyl-N-(3-methylcyclopentyl)aniline
CID 64500477
4-ethoxy-2-methyl-N-(4-methylcyclohexyl)aniline
CID 63451354
N-(4-ethoxy-2-methylphenyl)oxolan-3-amine
CID 63335587
N-(4-ethoxy-2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 60936279
1-(4-ethoxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682196
N-(5-bromo-2-methylphenyl)adamantan-2-amine
CID 43729666
N-(4-ethoxy-2-methylphenyl)methanesulfinamide
CID 145156029
N-(4-ethoxy-2-methylphenyl)ethanesulfonamide
CID 61063373
N-cyclobutyl-2-methyl-4-propoxyaniline
CID 115884959

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-2-methylphenyl)adamantan-2-amine?
The IUPAC name of N-(4-ethoxy-2-methylphenyl)adamantan-2-amine (CID 63451444) is N-(4-ethoxy-2-methylphenyl)adamantan-2-amine.
What is the SMILES notation for N-(4-ethoxy-2-methylphenyl)adamantan-2-amine?
The canonical SMILES for N-(4-ethoxy-2-methylphenyl)adamantan-2-amine is CCOc1ccc(NC2C3CC4CC(C3)CC2C4)c(C)c1.
What is the InChIKey of N-(4-ethoxy-2-methylphenyl)adamantan-2-amine?
The InChIKey is ZYBLZXQVNFVCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-3-21-17-4-5-18(12(2)6-17)20-19-15-8-13-7-14(10-15)11-16(19)9-13/h4-6,13-16,19-20H,3,7-11H2,1-2H3.
What are the key properties of N-(4-ethoxy-2-methylphenyl)adamantan-2-amine?
N-(4-ethoxy-2-methylphenyl)adamantan-2-amine has a molecular weight of 285.43 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-2-methylphenyl)adamantan-2-amine is sourced from PubChem (CID 63451444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).