N-(2-methoxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride

C18H20ClNO — CID 172578348

IUPACN-(2-methoxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride
SMILESCOCCNC1c2ccccc2C=Cc2ccccc21.Cl
InChIInChI=1S/C18H19NO.ClH/c1-20-13-12-19-18-16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)18;/h2-11,18-19H,12-13H2,1H3;1H
InChIKeyFTNRBYXWCOWENZ-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.92
Rot. Bonds4

About N-(2-methoxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride

N-(2-methoxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride (PubChem CID 172578348) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is N-(2-methoxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-methoxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride
PubChem CID172578348
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC NameN-(2-methoxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride
SMILESCOCCNC1c2ccccc2C=Cc2ccccc21.Cl
InChIInChI=1S/C18H19NO.ClH/c1-20-13-12-19-18-16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)18;/h2-11,18-19H,12-13H2,1H3;1H
InChIKeyFTNRBYXWCOWENZ-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Npdpa hydrochloride
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N-Ethyl-alpha-phenylphenethylamine hydrochloride
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CID 23584939

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride?
The IUPAC name of N-(2-methoxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride (CID 172578348) is N-(2-methoxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride.
What is the SMILES notation for N-(2-methoxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride?
The canonical SMILES for N-(2-methoxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride is COCCNC1c2ccccc2C=Cc2ccccc21.Cl.
What is the InChIKey of N-(2-methoxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride?
The InChIKey is FTNRBYXWCOWENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO.ClH/c1-20-13-12-19-18-16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)18;/h2-11,18-19H,12-13H2,1H3;1H.
What are the key properties of N-(2-methoxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride?
N-(2-methoxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride has a molecular weight of 301.82 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine;hydrochloride is sourced from PubChem (CID 172578348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).