1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine

C16H21Cl3N2 — CID 66525054

IUPAC1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine
SMILESCN1C2CCC1CC(CNCc1c(Cl)ccc(Cl)c1Cl)C2
InChIInChI=1S/C16H21Cl3N2/c1-21-11-2-3-12(21)7-10(6-11)8-20-9-13-14(17)4-5-15(18)16(13)19/h4-5,10-12,20H,2-3,6-9H2,1H3
InChIKeyOAWYOUDESWYGCW-UHFFFAOYSA-N
MW347.72 g/mol
LogP4.61
Rot. Bonds4

About 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine

1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine (PubChem CID 66525054) has the molecular formula C16H21Cl3N2 and a molecular weight of 347.72 g/mol. Its IUPAC name is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine
PubChem CID66525054
Molecular FormulaC16H21Cl3N2
Molecular Weight347.72 g/mol
Exact Mass346.08
IUPAC Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine
SMILESCN1C2CCC1CC(CNCc1c(Cl)ccc(Cl)c1Cl)C2
InChIInChI=1S/C16H21Cl3N2/c1-21-11-2-3-12(21)7-10(6-11)8-20-9-13-14(17)4-5-15(18)16(13)19/h4-5,10-12,20H,2-3,6-9H2,1H3
InChIKeyOAWYOUDESWYGCW-UHFFFAOYSA-N
XLogP4.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.72
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine with MolForge

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 61011641
1-cyclohexyl-N-[(2,3,6-trichlorophenyl)methyl]methanamine
CID 43234592
2-[[(2,3,6-trichlorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 79025608
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 54899981
1-cyclopropyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]methanamine
CID 61013267
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 61013259
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
CID 62339065
N-cyclopropyl-2-[(2,3,6-trichlorophenyl)methylamino]acetamide
CID 43434263
4-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]methyl]benzamide
CID 61013401
2-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]methyl]benzonitrile
CID 107935941
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]methanamine
CID 61011504
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-methyltriazol-4-yl)methyl]methanamine
CID 62755280

Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine?
The IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine (CID 66525054) is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine.
What is the SMILES notation for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine?
The canonical SMILES for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine is CN1C2CCC1CC(CNCc1c(Cl)ccc(Cl)c1Cl)C2.
What is the InChIKey of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine?
The InChIKey is OAWYOUDESWYGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl3N2/c1-21-11-2-3-12(21)7-10(6-11)8-20-9-13-14(17)4-5-15(18)16(13)19/h4-5,10-12,20H,2-3,6-9H2,1H3.
What are the key properties of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine?
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine has a molecular weight of 347.72 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine is sourced from PubChem (CID 66525054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).