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

C15H21N — CID 79554012

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylaniline
SMILESCc1ccccc1NCC1CC2CCC1C2
InChIInChI=1S/C15H21N/c1-11-4-2-3-5-15(11)16-10-14-9-12-6-7-13(14)8-12/h2-5,12-14,16H,6-10H2,1H3
InChIKeyNLHOEAXTEKTURV-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.84
Rot. Bonds3

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

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylaniline (PubChem CID 79554012) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylaniline.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylaniline
PubChem CID79554012
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylaniline
SMILESCc1ccccc1NCC1CC2CCC1C2
InChIInChI=1S/C15H21N/c1-11-4-2-3-5-15(11)16-10-14-9-12-6-7-13(14)8-12/h2-5,12-14,16H,6-10H2,1H3
InChIKeyNLHOEAXTEKTURV-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-3-methylaniline
CID 114252026
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-tert-butylaniline
CID 79551827
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methoxy-2-methylaniline
CID 79555117
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methylphenyl)acetamide
CID 11923124
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylbenzene-1,2-diamine
CID 63689970
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-methylaniline
CID 79554507
[2-[(2-methylanilino)methyl]cyclopropyl]methanol
CID 102547886
(1S,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526668
methyl 2-amino-3-(2-bicyclo[2.2.1]heptanylmethylamino)benzoate
CID 115546150
2-(2-bicyclo[2.2.1]heptanylmethylamino)-5-methylbenzoic acid
CID 63681993
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenyl)propan-2-amine
CID 79558859
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-difluoroaniline
CID 79554094

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylaniline?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylaniline (CID 79554012) is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylaniline.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylaniline?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylaniline is Cc1ccccc1NCC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylaniline?
The InChIKey is NLHOEAXTEKTURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-11-4-2-3-5-15(11)16-10-14-9-12-6-7-13(14)8-12/h2-5,12-14,16H,6-10H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylaniline?
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylaniline has a molecular weight of 215.34 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylaniline is sourced from PubChem (CID 79554012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).