N-[(2-chloro-6-ethylphenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride

C17H26Cl2N2 — CID 120836597

IUPACN-[(2-chloro-6-ethylphenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
SMILESCCc1cccc(Cl)c1CN(C)C1CC2CCC(C1)N2.Cl
InChIInChI=1S/C17H25ClN2.ClH/c1-3-12-5-4-6-17(18)16(12)11-20(2)15-9-13-7-8-14(10-15)19-13;/h4-6,13-15,19H,3,7-11H2,1-2H3;1H
InChIKeyBRMPOGWWEGVMKS-UHFFFAOYSA-N
MW329.31 g/mol
LogP4.04
Rot. Bonds4

About N-[(2-chloro-6-ethylphenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride

N-[(2-chloro-6-ethylphenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride (PubChem CID 120836597) has the molecular formula C17H26Cl2N2 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-[(2-chloro-6-ethylphenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2-chloro-6-ethylphenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
PubChem CID120836597
Molecular FormulaC17H26Cl2N2
Molecular Weight329.31 g/mol
Exact Mass328.15
IUPAC NameN-[(2-chloro-6-ethylphenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
SMILESCCc1cccc(Cl)c1CN(C)C1CC2CCC(C1)N2.Cl
InChIInChI=1S/C17H25ClN2.ClH/c1-3-12-5-4-6-17(18)16(12)11-20(2)15-9-13-7-8-14(10-15)19-13;/h4-6,13-15,19H,3,7-11H2,1-2H3;1H
InChIKeyBRMPOGWWEGVMKS-UHFFFAOYSA-N
XLogP4.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-chloro-6-ethylphenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride with MolForge

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Related Compounds

N-[(2-bromo-6-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 120836431
N-[(2-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231691
N-[(3-chloro-4-methylphenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836502
N-[(4-chlorothiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836453
N-[(2-ethylphenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62415870
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231269
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 119682892
3-chloro-2-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 114321079
N-[(2-ethyl-6-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 120835424
N-(1H-indol-3-ylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231228
N-[(2,5-dichlorophenyl)methyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 65316564
4-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-3-fluorobenzamide
CID 61232434

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-ethylphenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride?
The IUPAC name of N-[(2-chloro-6-ethylphenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride (CID 120836597) is N-[(2-chloro-6-ethylphenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride.
What is the SMILES notation for N-[(2-chloro-6-ethylphenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride?
The canonical SMILES for N-[(2-chloro-6-ethylphenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride is CCc1cccc(Cl)c1CN(C)C1CC2CCC(C1)N2.Cl.
What is the InChIKey of N-[(2-chloro-6-ethylphenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride?
The InChIKey is BRMPOGWWEGVMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2.ClH/c1-3-12-5-4-6-17(18)16(12)11-20(2)15-9-13-7-8-14(10-15)19-13;/h4-6,13-15,19H,3,7-11H2,1-2H3;1H.
What are the key properties of N-[(2-chloro-6-ethylphenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride?
N-[(2-chloro-6-ethylphenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride has a molecular weight of 329.31 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-ethylphenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride is sourced from PubChem (CID 120836597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).