2-(2-bicyclo[2.2.1]heptanyl)-N-methylaniline

C14H19N — CID 86079692

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-methylaniline
SMILESCNc1ccccc1C1CC2CCC1C2
InChIInChI=1S/C14H19N/c1-15-14-5-3-2-4-12(14)13-9-10-6-7-11(13)8-10/h2-5,10-11,13,15H,6-9H2,1H3
InChIKeyBRTLJGOIPPSMIS-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.63
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]heptanyl)-N-methylaniline

2-(2-bicyclo[2.2.1]heptanyl)-N-methylaniline (PubChem CID 86079692) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-methylaniline.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-methylaniline
PubChem CID86079692
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-methylaniline
SMILESCNc1ccccc1C1CC2CCC1C2
InChIInChI=1S/C14H19N/c1-15-14-5-3-2-4-12(14)13-9-10-6-7-11(13)8-10/h2-5,10-11,13,15H,6-9H2,1H3
InChIKeyBRTLJGOIPPSMIS-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2R,4S)-2-(2-methylphenyl)bicyclo[2.2.1]heptane
CID 10397553
(1S,2S,4R)-2-(2-phenylphenyl)bicyclo[2.2.1]heptane
CID 16687687
3-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzene-1,2-diol
CID 92980858
1-(2-bicyclo[2.2.1]heptanyl)-5-chloronaphthalene
CID 170648879
(1S,4R)-2-phenylbicyclo[2.2.1]heptane
CID 10965003
1-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]propan-2-ol
CID 101123780
2-(2-tert-butyl-3-methylphenyl)bicyclo[2.2.1]heptane
CID 169322208
2,6-bis(2-bicyclo[2.2.1]heptanyl)benzoic acid
CID 118566261
N-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carbothioamide
CID 19754686
1-(2-bicyclo[2.2.1]heptanyl)-3-methylnaphthalene
CID 153281935
3-(2-bicyclo[2.2.1]heptanyl)-1H-pyridin-2-one
CID 19748684
1-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]pyrazole
CID 122203491

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-methylaniline?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-methylaniline (CID 86079692) is 2-(2-bicyclo[2.2.1]heptanyl)-N-methylaniline.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-methylaniline?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-methylaniline is CNc1ccccc1C1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-methylaniline?
The InChIKey is BRTLJGOIPPSMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-15-14-5-3-2-4-12(14)13-9-10-6-7-11(13)8-10/h2-5,10-11,13,15H,6-9H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-methylaniline?
2-(2-bicyclo[2.2.1]heptanyl)-N-methylaniline has a molecular weight of 201.31 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-methylaniline is sourced from PubChem (CID 86079692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).