N-(2-bicyclo[2.2.1]heptanyl)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

C18H26ClNO — CID 19431028

IUPACN-(2-bicyclo[2.2.1]heptanyl)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCOc1cccc2c1CC(NC1CC3CCC1C3)CC2.Cl
InChIInChI=1S/C18H25NO.ClH/c1-20-18-4-2-3-13-7-8-15(11-16(13)18)19-17-10-12-5-6-14(17)9-12;/h2-4,12,14-15,17,19H,5-11H2,1H3;1H
InChIKeyZYCVATFVPIBSDC-UHFFFAOYSA-N
MW307.86 g/mol
LogP3.75
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanyl)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

N-(2-bicyclo[2.2.1]heptanyl)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (PubChem CID 19431028) has the molecular formula C18H26ClNO and a molecular weight of 307.86 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
PubChem CID19431028
Molecular FormulaC18H26ClNO
Molecular Weight307.86 g/mol
Exact Mass307.17
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCOc1cccc2c1CC(NC1CC3CCC1C3)CC2.Cl
InChIInChI=1S/C18H25NO.ClH/c1-20-18-4-2-3-13-7-8-15(11-16(13)18)19-17-10-12-5-6-14(17)9-12;/h2-4,12,14-15,17,19H,5-11H2,1H3;1H
InChIKeyZYCVATFVPIBSDC-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.86
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bicyclo[2.2.1]heptanyl)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (CID 19431028) is N-(2-bicyclo[2.2.1]heptanyl)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is COc1cccc2c1CC(NC1CC3CCC1C3)CC2.Cl.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The InChIKey is ZYCVATFVPIBSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO.ClH/c1-20-18-4-2-3-13-7-8-15(11-16(13)18)19-17-10-12-5-6-14(17)9-12;/h2-4,12,14-15,17,19H,5-11H2,1H3;1H.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
N-(2-bicyclo[2.2.1]heptanyl)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride has a molecular weight of 307.86 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is sourced from PubChem (CID 19431028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).