4-(4-methoxyphenyl)bicyclo[2.2.2]octan-1-amine;hydrochloride

C15H22ClNO — CID 146623806

IUPAC4-(4-methoxyphenyl)bicyclo[2.2.2]octan-1-amine;hydrochloride
SMILESCOc1ccc(C23CCC(N)(CC2)CC3)cc1.Cl
InChIInChI=1S/C15H21NO.ClH/c1-17-13-4-2-12(3-5-13)14-6-9-15(16,10-7-14)11-8-14;/h2-5H,6-11,16H2,1H3;1H
InChIKeyDYIGSRRYSPQEKE-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.42
Rot. Bonds2

About 4-(4-methoxyphenyl)bicyclo[2.2.2]octan-1-amine;hydrochloride

4-(4-methoxyphenyl)bicyclo[2.2.2]octan-1-amine;hydrochloride (PubChem CID 146623806) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)bicyclo[2.2.2]octan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-(4-methoxyphenyl)bicyclo[2.2.2]octan-1-amine;hydrochloride
PubChem CID146623806
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name4-(4-methoxyphenyl)bicyclo[2.2.2]octan-1-amine;hydrochloride
SMILESCOc1ccc(C23CCC(N)(CC2)CC3)cc1.Cl
InChIInChI=1S/C15H21NO.ClH/c1-17-13-4-2-12(3-5-13)14-6-9-15(16,10-7-14)11-8-14;/h2-5H,6-11,16H2,1H3;1H
InChIKeyDYIGSRRYSPQEKE-UHFFFAOYSA-N
XLogP3.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxyphenyl)-N-methylbicyclo[2.2.2]octane-1-carboxamide
CID 146623691
4-pyridin-4-ylbicyclo[2.2.2]octan-1-amine;hydrochloride
CID 161319445
3,3-diethyl-1-(4-methoxyphenyl)cyclobutan-1-amine
CID 65004013
1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine;hydrochloride
CID 75361270
1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene
CID 12846256
2-[3-(4-methoxyphenyl)-1-bicyclo[1.1.1]pentanyl]ethanol
CID 171758966
1-(4-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine
CID 65005732
5-(4-methoxyphenyl)-N-methylbicyclo[3.2.1]octane-1-carboxamide
CID 146623454
1-(4-methoxyphenyl)-3,4-dimethylcyclohexan-1-amine
CID 64733935
3-amino-3-(4-methoxyphenyl)cyclopentan-1-ol
CID 115025190
1-(4-methoxyphenyl)-3,5-dimethylcyclohexan-1-amine
CID 64751441
1-(4-methoxyphenyl)cyclobutan-1-amine;1-(4-methoxyphenyl)cyclobutane-1-carboxamide;hydrochloride
CID 158410328

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)bicyclo[2.2.2]octan-1-amine;hydrochloride?
The IUPAC name of 4-(4-methoxyphenyl)bicyclo[2.2.2]octan-1-amine;hydrochloride (CID 146623806) is 4-(4-methoxyphenyl)bicyclo[2.2.2]octan-1-amine;hydrochloride.
What is the SMILES notation for 4-(4-methoxyphenyl)bicyclo[2.2.2]octan-1-amine;hydrochloride?
The canonical SMILES for 4-(4-methoxyphenyl)bicyclo[2.2.2]octan-1-amine;hydrochloride is COc1ccc(C23CCC(N)(CC2)CC3)cc1.Cl.
What is the InChIKey of 4-(4-methoxyphenyl)bicyclo[2.2.2]octan-1-amine;hydrochloride?
The InChIKey is DYIGSRRYSPQEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO.ClH/c1-17-13-4-2-12(3-5-13)14-6-9-15(16,10-7-14)11-8-14;/h2-5H,6-11,16H2,1H3;1H.
What are the key properties of 4-(4-methoxyphenyl)bicyclo[2.2.2]octan-1-amine;hydrochloride?
4-(4-methoxyphenyl)bicyclo[2.2.2]octan-1-amine;hydrochloride has a molecular weight of 267.80 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)bicyclo[2.2.2]octan-1-amine;hydrochloride is sourced from PubChem (CID 146623806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).