N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-methylaniline

C15H20ClN — CID 79554507

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-methylaniline
SMILESCc1ccc(NCC2CC3CCC2C3)c(Cl)c1
InChIInChI=1S/C15H20ClN/c1-10-2-5-15(14(16)6-10)17-9-13-8-11-3-4-12(13)7-11/h2,5-6,11-13,17H,3-4,7-9H2,1H3
InChIKeyHDPKJUPTPNCMJA-UHFFFAOYSA-N
MW249.78 g/mol
LogP4.50
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-methylaniline

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-methylaniline (PubChem CID 79554507) has the molecular formula C15H20ClN and a molecular weight of 249.78 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-methylaniline.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-methylaniline
PubChem CID79554507
Molecular FormulaC15H20ClN
Molecular Weight249.78 g/mol
Exact Mass249.13
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-methylaniline
SMILESCc1ccc(NCC2CC3CCC2C3)c(Cl)c1
InChIInChI=1S/C15H20ClN/c1-10-2-5-15(14(16)6-10)17-9-13-8-11-3-4-12(13)7-11/h2,5-6,11-13,17H,3-4,7-9H2,1H3
InChIKeyHDPKJUPTPNCMJA-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.78
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chloroaniline
CID 79554670
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-fluoroaniline
CID 79554345
4-(2-bicyclo[2.2.1]heptanylmethylamino)-3-chlorobenzonitrile
CID 63683009
2-(2-bicyclo[2.2.1]heptanylmethylamino)-5-methylbenzoic acid
CID 63681993
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-3-methylaniline
CID 114252026
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2,6-dichloroaniline
CID 79554344
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-fluoroaniline
CID 79554177
2-(2-bicyclo[2.2.1]heptanylmethylamino)-5-chlorobenzonitrile
CID 63683697
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-difluoroaniline
CID 79554182
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-dimethylphenyl)methyl]methanamine
CID 63689969
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-2-amine
CID 106867858

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-methylaniline?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-methylaniline (CID 79554507) is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-methylaniline.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-methylaniline?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-methylaniline is Cc1ccc(NCC2CC3CCC2C3)c(Cl)c1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-methylaniline?
The InChIKey is HDPKJUPTPNCMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN/c1-10-2-5-15(14(16)6-10)17-9-13-8-11-3-4-12(13)7-11/h2,5-6,11-13,17H,3-4,7-9H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-methylaniline?
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-methylaniline has a molecular weight of 249.78 g/mol, XLogP of 4.50, 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-chloro-4-methylaniline is sourced from PubChem (CID 79554507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).