N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptan-2-amine

C16H23NO2 — CID 61309747

IUPACN-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptan-2-amine
SMILESCOCCOc1cccc(NC2CC3CCC2C3)c1
InChIInChI=1S/C16H23NO2/c1-18-7-8-19-15-4-2-3-14(11-15)17-16-10-12-5-6-13(16)9-12/h2-4,11-13,16-17H,5-10H2,1H3
InChIKeyTZWYNSDFEXPUMT-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.31
Rot. Bonds6

About N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptan-2-amine

N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 61309747) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID61309747
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptan-2-amine
SMILESCOCCOc1cccc(NC2CC3CCC2C3)c1
InChIInChI=1S/C16H23NO2/c1-18-7-8-19-15-4-2-3-14(11-15)17-16-10-12-5-6-13(16)9-12/h2-4,11-13,16-17H,5-10H2,1H3
InChIKeyTZWYNSDFEXPUMT-UHFFFAOYSA-N
XLogP3.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.31
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-cyclopropyl-3-(2-methoxyethoxy)aniline
CID 103439187
N-[3-(2-methoxyethoxy)phenyl]cycloheptanamine
CID 54864785
N-(4-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 55194098
N-(cyclopropylmethyl)-3-(2-methoxyethoxy)aniline
CID 54803051
N-(3-ethylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 54595835
N-[3-(2-methoxyethoxy)phenyl]pyrrolidin-3-amine
CID 79731567
N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]acetamide
CID 61309519
1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3-(3-ethoxyphenyl)thiourea
CID 100593582
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(3-methoxyphenyl)thiourea
CID 7942231
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(3-methoxyphenyl)thiourea
CID 11919190
1-[4-[3-(2-methoxyethoxy)anilino]piperidin-1-yl]ethanone
CID 60936422
N-(3-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 55198635

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptan-2-amine (CID 61309747) is N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptan-2-amine is COCCOc1cccc(NC2CC3CCC2C3)c1.
What is the InChIKey of N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is TZWYNSDFEXPUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-18-7-8-19-15-4-2-3-14(11-15)17-16-10-12-5-6-13(16)9-12/h2-4,11-13,16-17H,5-10H2,1H3.
What are the key properties of N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptan-2-amine?
N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 261.36 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 61309747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).