N-[2-(4-methoxyphenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

C18H28N2O — CID 65472958

IUPACN-[2-(4-methoxyphenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCOc1ccc(CCNC2CC3CCCC(C2)N3C)cc1
InChIInChI=1S/C18H28N2O/c1-20-16-4-3-5-17(20)13-15(12-16)19-11-10-14-6-8-18(21-2)9-7-14/h6-9,15-17,19H,3-5,10-13H2,1-2H3
InChIKeyWAOVESVBBFTMQB-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.84
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

N-[2-(4-methoxyphenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 65472958) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID65472958
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCOc1ccc(CCNC2CC3CCCC(C2)N3C)cc1
InChIInChI=1S/C18H28N2O/c1-20-16-4-3-5-17(20)13-15(12-16)19-11-10-14-6-8-18(21-2)9-7-14/h6-9,15-17,19H,3-5,10-13H2,1-2H3
InChIKeyWAOVESVBBFTMQB-UHFFFAOYSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
CID 784361
8-methyl-N-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 2837528
N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride
CID 23106150
N-[2-(3,4-dimethoxyphenyl)ethyl]-9-methyl-9-azabicyclo[4.2.1]nonan-3-amine
CID 166264057
N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 43082252
1-ethyl-N-[2-(4-methoxyphenyl)ethyl]piperidin-4-amine
CID 3824332
2-methoxy-4-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]phenol
CID 65470463
N-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-amine
CID 118993498
N-[2-(3,5-difluorophenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62604967
3-[2-(4-methoxyphenyl)ethyl]-N-propylcyclohexan-1-amine
CID 65441665
trans-(1R,2R)-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 791634
N-[2-(4-methoxyphenyl)ethyl]adamantan-2-amine
CID 783887

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 65472958) is N-[2-(4-methoxyphenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is COc1ccc(CCNC2CC3CCCC(C2)N3C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is WAOVESVBBFTMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-20-16-4-3-5-17(20)13-15(12-16)19-11-10-14-6-8-18(21-2)9-7-14/h6-9,15-17,19H,3-5,10-13H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
N-[2-(4-methoxyphenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 288.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 65472958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).