N-[(2-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C17H25ClN2 — CID 61231691

IUPACN-[(2-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(Cc1ccccc1Cl)C1CC2CCC(C1)N2
InChIInChI=1S/C17H25ClN2/c1-2-9-20(12-13-5-3-4-6-17(13)18)16-10-14-7-8-15(11-16)19-14/h3-6,14-16,19H,2,7-12H2,1H3
InChIKeyBCFITYGEIFFOJW-UHFFFAOYSA-N
MW292.85 g/mol
LogP3.84
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

N-[(2-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61231691) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61231691
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC NameN-[(2-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(Cc1ccccc1Cl)C1CC2CCC(C1)N2
InChIInChI=1S/C17H25ClN2/c1-2-9-20(12-13-5-3-4-6-17(13)18)16-10-14-7-8-15(11-16)19-14/h3-6,14-16,19H,2,7-12H2,1H3
InChIKeyBCFITYGEIFFOJW-UHFFFAOYSA-N
XLogP3.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethylphenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62415870
N-[(2,4-dichlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233028
N-[(2-chloro-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62470924
N-benzyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231305
N-[(3,6-dichloro-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62891457
N-[(2,5-dichlorophenyl)methyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 65316564
N-[(5-fluoro-2-methylphenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 105372550
N-[(2,4-difluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232072
N-[(4-iodophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 65477240
2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-1-phenylethanol
CID 61231963
N-propyl-N-(2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61232143
N-[(3-bromophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231881

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 61231691) is N-[(2-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCN(Cc1ccccc1Cl)C1CC2CCC(C1)N2.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is BCFITYGEIFFOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2/c1-2-9-20(12-13-5-3-4-6-17(13)18)16-10-14-7-8-15(11-16)19-14/h3-6,14-16,19H,2,7-12H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[(2-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 292.85 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61231691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).