9-(3-chloro-4-methylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine

C16H23ClN2 — CID 62713614

IUPAC9-(3-chloro-4-methylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2c1ccc(C)c(Cl)c1
InChIInChI=1S/C16H23ClN2/c1-11-6-7-15(10-16(11)17)19-13-4-3-5-14(19)9-12(8-13)18-2/h6-7,10,12-14,18H,3-5,8-9H2,1-2H3
InChIKeyWEPJZAGWADKFAE-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.76
Rot. Bonds2

About 9-(3-chloro-4-methylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine

9-(3-chloro-4-methylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62713614) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 9-(3-chloro-4-methylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(3-chloro-4-methylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62713614
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name9-(3-chloro-4-methylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2c1ccc(C)c(Cl)c1
InChIInChI=1S/C16H23ClN2/c1-11-6-7-15(10-16(11)17)19-13-4-3-5-14(19)9-12(8-13)18-2/h6-7,10,12-14,18H,3-5,8-9H2,1-2H3
InChIKeyWEPJZAGWADKFAE-UHFFFAOYSA-N
XLogP3.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(3-chloro-4-methylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(3-chloro-4-methylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 62713614) is 9-(3-chloro-4-methylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(3-chloro-4-methylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(3-chloro-4-methylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine is CNC1CC2CCCC(C1)N2c1ccc(C)c(Cl)c1.
What is the InChIKey of 9-(3-chloro-4-methylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is WEPJZAGWADKFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c1-11-6-7-15(10-16(11)17)19-13-4-3-5-14(19)9-12(8-13)18-2/h6-7,10,12-14,18H,3-5,8-9H2,1-2H3.
What are the key properties of 9-(3-chloro-4-methylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-(3-chloro-4-methylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 278.83 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-chloro-4-methylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62713614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).