8-[(4-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C17H25ClN2 — CID 62739990

IUPAC8-[(4-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2Cc1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2/c1-2-9-19-15-10-16-7-8-17(11-15)20(16)12-13-3-5-14(18)6-4-13/h3-6,15-17,19H,2,7-12H2,1H3
InChIKeyZTSPNNMPTZJKTE-UHFFFAOYSA-N
MW292.85 g/mol
LogP3.84
Rot. Bonds5

About 8-[(4-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

8-[(4-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62739990) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is 8-[(4-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[(4-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62739990
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC Name8-[(4-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2Cc1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2/c1-2-9-19-15-10-16-7-8-17(11-15)20(16)12-13-3-5-14(18)6-4-13/h3-6,15-17,19H,2,7-12H2,1H3
InChIKeyZTSPNNMPTZJKTE-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

9-[(4-bromophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712363
8-[(2-fluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739080
N-propyl-8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740890
8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 55236052
N-propyl-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740133
8-(4-chloro-2-methylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739651
9-[(3-fluorophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712012
8-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740542
N-propyl-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 106897823
8-[2-(4-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55107251
8-[(4-methyl-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 114957602
8-butyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62741055

Frequently Asked Questions

What is the IUPAC name of 8-[(4-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[(4-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 62739990) is 8-[(4-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[(4-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[(4-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCNC1CC2CCC(C1)N2Cc1ccc(Cl)cc1.
What is the InChIKey of 8-[(4-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is ZTSPNNMPTZJKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2/c1-2-9-19-15-10-16-7-8-17(11-15)20(16)12-13-3-5-14(18)6-4-13/h3-6,15-17,19H,2,7-12H2,1H3.
What are the key properties of 8-[(4-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
8-[(4-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 8-[(4-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62739990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).