N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-3-methylaniline

C15H20ClN — CID 114252026

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-3-methylaniline
SMILESCc1cccc(NCC2CC3CCC2C3)c1Cl
InChIInChI=1S/C15H20ClN/c1-10-3-2-4-14(15(10)16)17-9-13-8-11-5-6-12(13)7-11/h2-4,11-13,17H,5-9H2,1H3
InChIKeyOCLALAXGHWMDNQ-UHFFFAOYSA-N
MW249.78 g/mol
LogP4.50
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-3-methylaniline

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-3-methylaniline (PubChem CID 114252026) 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-3-methylaniline.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-3-methylaniline
PubChem CID114252026
Molecular FormulaC15H20ClN
Molecular Weight249.78 g/mol
Exact Mass249.13
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-3-methylaniline
SMILESCc1cccc(NCC2CC3CCC2C3)c1Cl
InChIInChI=1S/C15H20ClN/c1-10-3-2-4-14(15(10)16)17-9-13-8-11-5-6-12(13)7-11/h2-4,11-13,17H,5-9H2,1H3
InChIKeyOCLALAXGHWMDNQ-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)-2-methylaniline
CID 79554012
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-methylaniline
CID 79554507
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-tert-butylaniline
CID 79551827
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylbenzene-1,2-diamine
CID 63689970
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methoxy-2-methylaniline
CID 79555117
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-fluoroaniline
CID 79554345
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chloroaniline
CID 79554670
methyl 2-amino-3-(2-bicyclo[2.2.1]heptanylmethylamino)benzoate
CID 115546150
2-(2-bicyclo[2.2.1]heptanylmethylamino)-4-chlorobenzonitrile
CID 63683527
2-(2-bicyclo[2.2.1]heptanylmethylamino)-5-chlorobenzonitrile
CID 63683697
4-(2-bicyclo[2.2.1]heptanylmethylamino)-3-chlorobenzonitrile
CID 63683009
2-(2-bicyclo[2.2.1]heptanylmethylamino)-5-methylbenzoic acid
CID 63681993

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-3-methylaniline?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-3-methylaniline (CID 114252026) is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-3-methylaniline.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-3-methylaniline?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-3-methylaniline is Cc1cccc(NCC2CC3CCC2C3)c1Cl.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-3-methylaniline?
The InChIKey is OCLALAXGHWMDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN/c1-10-3-2-4-14(15(10)16)17-9-13-8-11-5-6-12(13)7-11/h2-4,11-13,17H,5-9H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-3-methylaniline?
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-3-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-3-methylaniline is sourced from PubChem (CID 114252026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).