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

C14H17ClFN — CID 79554345

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-fluoroaniline
SMILESFc1ccc(NCC2CC3CCC2C3)c(Cl)c1
InChIInChI=1S/C14H17ClFN/c15-13-7-12(16)3-4-14(13)17-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11,17H,1-2,5-6,8H2
InChIKeyGYXZAMIUINMLDC-UHFFFAOYSA-N
MW253.75 g/mol
LogP4.33
Rot. Bonds3

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

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-fluoroaniline (PubChem CID 79554345) has the molecular formula C14H17ClFN and a molecular weight of 253.75 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-fluoroaniline.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-fluoroaniline
PubChem CID79554345
Molecular FormulaC14H17ClFN
Molecular Weight253.75 g/mol
Exact Mass253.10
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-fluoroaniline
SMILESFc1ccc(NCC2CC3CCC2C3)c(Cl)c1
InChIInChI=1S/C14H17ClFN/c15-13-7-12(16)3-4-14(13)17-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11,17H,1-2,5-6,8H2
InChIKeyGYXZAMIUINMLDC-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-difluoroaniline
CID 79554182
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chloroaniline
CID 79554670
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-methylaniline
CID 79554507
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-difluoroaniline
CID 79554094
4-(2-bicyclo[2.2.1]heptanylmethylamino)-3-chlorobenzonitrile
CID 63683009
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-fluoroaniline
CID 79554177
2-chloro-N-(cyclopentylmethyl)-4-fluoroaniline
CID 61343734
2-(2-bicyclo[2.2.1]heptanylmethylamino)-5-chlorobenzonitrile
CID 63683697
4-(2-bicyclo[2.2.1]heptanylmethylamino)-3-fluorobenzonitrile
CID 62733661
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2,5-difluoroaniline
CID 107611175
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-difluorophenyl)methyl]methanamine
CID 62733927
[2-(2-bicyclo[2.2.1]heptanyl)-1-(2-chloro-4-fluorophenyl)ethyl]hydrazine
CID 105215533

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-fluoroaniline?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-fluoroaniline (CID 79554345) is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-fluoroaniline.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-fluoroaniline?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-fluoroaniline is Fc1ccc(NCC2CC3CCC2C3)c(Cl)c1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-fluoroaniline?
The InChIKey is GYXZAMIUINMLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN/c15-13-7-12(16)3-4-14(13)17-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11,17H,1-2,5-6,8H2.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-fluoroaniline?
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-fluoroaniline has a molecular weight of 253.75 g/mol, XLogP of 4.33, 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-fluoroaniline is sourced from PubChem (CID 79554345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).