4-(aminomethyl)-N-(4-methoxyphenyl)-N-methyl-1-azabicyclo[3.2.1]octan-4-amine

C16H25N3O — CID 105365117

IUPAC4-(aminomethyl)-N-(4-methoxyphenyl)-N-methyl-1-azabicyclo[3.2.1]octan-4-amine
SMILESCOc1ccc(N(C)C2(CN)CCN3CCC2C3)cc1
InChIInChI=1S/C16H25N3O/c1-18(14-3-5-15(20-2)6-4-14)16(12-17)8-10-19-9-7-13(16)11-19/h3-6,13H,7-12,17H2,1-2H3
InChIKeyCCLQSYYXVOOYPO-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.55
Rot. Bonds4

About 4-(aminomethyl)-N-(4-methoxyphenyl)-N-methyl-1-azabicyclo[3.2.1]octan-4-amine

4-(aminomethyl)-N-(4-methoxyphenyl)-N-methyl-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105365117) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-methoxyphenyl)-N-methyl-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-methoxyphenyl)-N-methyl-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105365117
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-(aminomethyl)-N-(4-methoxyphenyl)-N-methyl-1-azabicyclo[3.2.1]octan-4-amine
SMILESCOc1ccc(N(C)C2(CN)CCN3CCC2C3)cc1
InChIInChI=1S/C16H25N3O/c1-18(14-3-5-15(20-2)6-4-14)16(12-17)8-10-19-9-7-13(16)11-19/h3-6,13H,7-12,17H2,1-2H3
InChIKeyCCLQSYYXVOOYPO-UHFFFAOYSA-N
XLogP1.55
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-methoxyphenyl)-N-methyl-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(4-methoxyphenyl)-N-methyl-1-azabicyclo[3.2.1]octan-4-amine (CID 105365117) is 4-(aminomethyl)-N-(4-methoxyphenyl)-N-methyl-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(4-methoxyphenyl)-N-methyl-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(4-methoxyphenyl)-N-methyl-1-azabicyclo[3.2.1]octan-4-amine is COc1ccc(N(C)C2(CN)CCN3CCC2C3)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(4-methoxyphenyl)-N-methyl-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is CCLQSYYXVOOYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-18(14-3-5-15(20-2)6-4-14)16(12-17)8-10-19-9-7-13(16)11-19/h3-6,13H,7-12,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(4-methoxyphenyl)-N-methyl-1-azabicyclo[3.2.1]octan-4-amine?
4-(aminomethyl)-N-(4-methoxyphenyl)-N-methyl-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 275.40 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-methoxyphenyl)-N-methyl-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105365117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).