1-[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine

C20H25N3O — CID 56721325

IUPAC1-[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(CNCc2ccc(OC34CCCN(CC3)C4)cc2)nc1
InChIInChI=1S/C20H25N3O/c1-2-11-22-18(4-1)15-21-14-17-5-7-19(8-6-17)24-20-9-3-12-23(16-20)13-10-20/h1-2,4-8,11,21H,3,9-10,12-16H2
InChIKeyBIGBBHXWNMGYQA-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.99
Rot. Bonds6

About 1-[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine

1-[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 56721325) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine
PubChem CID56721325
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(CNCc2ccc(OC34CCCN(CC3)C4)cc2)nc1
InChIInChI=1S/C20H25N3O/c1-2-11-22-18(4-1)15-21-14-17-5-7-19(8-6-17)24-20-9-3-12-23(16-20)13-10-20/h1-2,4-8,11,21H,3,9-10,12-16H2
InChIKeyBIGBBHXWNMGYQA-UHFFFAOYSA-N
XLogP2.99
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine with MolForge

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Related Compounds

5-[4-[(E)-2-pyridin-2-ylethenyl]phenoxy]-1-azabicyclo[3.2.1]octane
CID 56750530
1-[2-[[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]methylamino]ethyl]imidazolidin-2-one
CID 56704037
1-[4-(piperidin-1-ylmethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 83962786
1-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 17294585
1-[4-(methoxymethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 60751892
1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 44782427
azane;methane;[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methanamine
CID 158212763
trans-(1S,2S)-2-N-(pyridin-2-ylmethyl)-1-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]cyclohexane-1,2-diamine
CID 59989995
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 6461106
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224
2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]acetic acid
CID 103235916

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine (CID 56721325) is 1-[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine is c1ccc(CNCc2ccc(OC34CCCN(CC3)C4)cc2)nc1.
What is the InChIKey of 1-[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is BIGBBHXWNMGYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-11-22-18(4-1)15-21-14-17-5-7-19(8-6-17)24-20-9-3-12-23(16-20)13-10-20/h1-2,4-8,11,21H,3,9-10,12-16H2.
What are the key properties of 1-[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine?
1-[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 323.44 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 56721325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).