N-(2,4-dimethoxyphenyl)bicyclo[2.2.1]heptan-2-amine

C15H21NO2 — CID 61309711

IUPACN-(2,4-dimethoxyphenyl)bicyclo[2.2.1]heptan-2-amine
SMILESCOc1ccc(NC2CC3CCC2C3)c(OC)c1
InChIInChI=1S/C15H21NO2/c1-17-12-5-6-13(15(9-12)18-2)16-14-8-10-3-4-11(14)7-10/h5-6,9-11,14,16H,3-4,7-8H2,1-2H3
InChIKeyOSNYEAVQXCCLDB-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.30
Rot. Bonds4

About N-(2,4-dimethoxyphenyl)bicyclo[2.2.1]heptan-2-amine

N-(2,4-dimethoxyphenyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 61309711) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID61309711
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(2,4-dimethoxyphenyl)bicyclo[2.2.1]heptan-2-amine
SMILESCOc1ccc(NC2CC3CCC2C3)c(OC)c1
InChIInChI=1S/C15H21NO2/c1-17-12-5-6-13(15(9-12)18-2)16-14-8-10-3-4-11(14)7-10/h5-6,9-11,14,16H,3-4,7-8H2,1-2H3
InChIKeyOSNYEAVQXCCLDB-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2,4-dimethoxyphenyl)acetamide
CID 18556175
N-(2,5-dimethylcyclohexyl)-2,4-dimethoxyaniline
CID 64774711
N-(2,4-dimethoxyphenyl)-2-methylthiolan-3-amine
CID 102670987
2-(2,4-dimethoxyanilino)cyclobutane-1-carboxylic acid
CID 103231889
N-(2-methyl-4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63451149
N-(4-ethoxy-2-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63451179
methyl 2-(2-bicyclo[2.2.1]heptanylamino)-5-chlorobenzoate
CID 63428139
1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-[4-[4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]carbamothioylamino]-3-methoxyphenyl]-2-methoxyphenyl]thiourea
CID 21456074
1-(2-bicyclo[2.2.1]heptanyl)-3-[4-[4-(2-bicyclo[2.2.1]heptanylcarbamothioylamino)-3-methoxyphenyl]-2-methoxyphenyl]thiourea
CID 5043187
N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63426599
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 124832637
N-(3,4-dimethylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61309908

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)bicyclo[2.2.1]heptan-2-amine (CID 61309711) is N-(2,4-dimethoxyphenyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)bicyclo[2.2.1]heptan-2-amine is COc1ccc(NC2CC3CCC2C3)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is OSNYEAVQXCCLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-17-12-5-6-13(15(9-12)18-2)16-14-8-10-3-4-11(14)7-10/h5-6,9-11,14,16H,3-4,7-8H2,1-2H3.
What are the key properties of N-(2,4-dimethoxyphenyl)bicyclo[2.2.1]heptan-2-amine?
N-(2,4-dimethoxyphenyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 247.34 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 61309711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).