1-[2-[(2-chloro-4-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine

C17H24ClN — CID 106869493

IUPAC1-[2-[(2-chloro-4-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine
SMILESCNCC1(Cc2ccc(C)cc2Cl)CC2CCC1C2
InChIInChI=1S/C17H24ClN/c1-12-3-5-14(16(18)7-12)10-17(11-19-2)9-13-4-6-15(17)8-13/h3,5,7,13,15,19H,4,6,8-11H2,1-2H3
InChIKeyPEKHOLOVWRFCAG-UHFFFAOYSA-N
MW277.84 g/mol
LogP4.22
Rot. Bonds4

About 1-[2-[(2-chloro-4-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine

1-[2-[(2-chloro-4-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine (PubChem CID 106869493) has the molecular formula C17H24ClN and a molecular weight of 277.84 g/mol. Its IUPAC name is 1-[2-[(2-chloro-4-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(2-chloro-4-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine
PubChem CID106869493
Molecular FormulaC17H24ClN
Molecular Weight277.84 g/mol
Exact Mass277.16
IUPAC Name1-[2-[(2-chloro-4-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine
SMILESCNCC1(Cc2ccc(C)cc2Cl)CC2CCC1C2
InChIInChI=1S/C17H24ClN/c1-12-3-5-14(16(18)7-12)10-17(11-19-2)9-13-4-6-15(17)8-13/h3,5,7,13,15,19H,4,6,8-11H2,1-2H3
InChIKeyPEKHOLOVWRFCAG-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chloro-4-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(2-chloro-4-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine (CID 106869493) is 1-[2-[(2-chloro-4-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(2-chloro-4-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(2-chloro-4-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine is CNCC1(Cc2ccc(C)cc2Cl)CC2CCC1C2.
What is the InChIKey of 1-[2-[(2-chloro-4-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine?
The InChIKey is PEKHOLOVWRFCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN/c1-12-3-5-14(16(18)7-12)10-17(11-19-2)9-13-4-6-15(17)8-13/h3,5,7,13,15,19H,4,6,8-11H2,1-2H3.
What are the key properties of 1-[2-[(2-chloro-4-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine?
1-[2-[(2-chloro-4-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine has a molecular weight of 277.84 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chloro-4-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine is sourced from PubChem (CID 106869493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).