N-[[3-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methyl]-2-methoxyethanamine

C18H27NO2 — CID 79562169

IUPACN-[[3-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cccc(OCC2CC3CCC2C3)c1
InChIInChI=1S/C18H27NO2/c1-20-8-7-19-12-15-3-2-4-18(11-15)21-13-17-10-14-5-6-16(17)9-14/h2-4,11,14,16-17,19H,5-10,12-13H2,1H3
InChIKeyBZHOKEUOAPLJCX-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.24
Rot. Bonds8

About N-[[3-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methyl]-2-methoxyethanamine

N-[[3-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methyl]-2-methoxyethanamine (PubChem CID 79562169) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[3-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methyl]-2-methoxyethanamine
PubChem CID79562169
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[[3-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cccc(OCC2CC3CCC2C3)c1
InChIInChI=1S/C18H27NO2/c1-20-8-7-19-12-15-3-2-4-18(11-15)21-13-17-10-14-5-6-16(17)9-14/h2-4,11,14,16-17,19H,5-10,12-13H2,1H3
InChIKeyBZHOKEUOAPLJCX-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(cyclopropylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63055892
N-[[3-(2-bicyclo[2.2.1]heptanylmethylsulfanyl)phenyl]methyl]-2-methoxyethanamine
CID 79562442
N-[[3-(cyclobutylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 65457089
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666
N-[[3-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine
CID 64735125
2-methoxy-N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 63056746
2-methoxy-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 63057932
N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine
CID 63863940
2-methoxy-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine
CID 65158746
N-[[3-[(3-bromophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 63057256
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
methyl 4-[3-[(2-methoxyethylamino)methyl]phenoxy]butanoate
CID 63056407

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methyl]-2-methoxyethanamine (CID 79562169) is N-[[3-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methyl]-2-methoxyethanamine is COCCNCc1cccc(OCC2CC3CCC2C3)c1.
What is the InChIKey of N-[[3-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methyl]-2-methoxyethanamine?
The InChIKey is BZHOKEUOAPLJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-20-8-7-19-12-15-3-2-4-18(11-15)21-13-17-10-14-5-6-16(17)9-14/h2-4,11,14,16-17,19H,5-10,12-13H2,1H3.
What are the key properties of N-[[3-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methyl]-2-methoxyethanamine?
N-[[3-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methyl]-2-methoxyethanamine has a molecular weight of 289.42 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 79562169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).