8-(3-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine

C14H19ClN2 — CID 62740684

IUPAC8-(3-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1c(Cl)cccc1N1C2CCC1CC(N)C2
InChIInChI=1S/C14H19ClN2/c1-9-13(15)3-2-4-14(9)17-11-5-6-12(17)8-10(16)7-11/h2-4,10-12H,5-8,16H2,1H3
InChIKeyCPCQHNUBNVZFGD-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.11
Rot. Bonds1

About 8-(3-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine

8-(3-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62740684) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 8-(3-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(3-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62740684
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name8-(3-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1c(Cl)cccc1N1C2CCC1CC(N)C2
InChIInChI=1S/C14H19ClN2/c1-9-13(15)3-2-4-14(9)17-11-5-6-12(17)8-10(16)7-11/h2-4,10-12H,5-8,16H2,1H3
InChIKeyCPCQHNUBNVZFGD-UHFFFAOYSA-N
XLogP3.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(3-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(3-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 62740684) is 8-(3-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(3-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(3-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine is Cc1c(Cl)cccc1N1C2CCC1CC(N)C2.
What is the InChIKey of 8-(3-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is CPCQHNUBNVZFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-9-13(15)3-2-4-14(9)17-11-5-6-12(17)8-10(16)7-11/h2-4,10-12H,5-8,16H2,1H3.
What are the key properties of 8-(3-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(3-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 250.77 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloro-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62740684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).