N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-difluoroaniline

C14H17F2N — CID 79554094

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-difluoroaniline
SMILESFc1ccc(F)c(NCC2CC3CCC2C3)c1
InChIInChI=1S/C14H17F2N/c15-12-3-4-13(16)14(7-12)17-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11,17H,1-2,5-6,8H2
InChIKeyPHLDMNBHLZYFRP-UHFFFAOYSA-N
MW237.29 g/mol
LogP3.81
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-difluoroaniline

N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-difluoroaniline (PubChem CID 79554094) has the molecular formula C14H17F2N and a molecular weight of 237.29 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-difluoroaniline.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-difluoroaniline
PubChem CID79554094
Molecular FormulaC14H17F2N
Molecular Weight237.29 g/mol
Exact Mass237.13
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-difluoroaniline
SMILESFc1ccc(F)c(NCC2CC3CCC2C3)c1
InChIInChI=1S/C14H17F2N/c15-12-3-4-13(16)14(7-12)17-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11,17H,1-2,5-6,8H2
InChIKeyPHLDMNBHLZYFRP-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 53.81
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)-2-chloro-4-fluoroaniline
CID 79554345
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
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-fluoroaniline
CID 79554177
4-(2-bicyclo[2.2.1]heptanylmethylamino)-3-fluorobenzonitrile
CID 62733661
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259258
1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(2,4-difluorophenyl)urea
CID 124922617
2-(2-bicyclo[2.2.1]heptanylmethylamino)-5-chlorobenzonitrile
CID 63683697
N-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 51027081
2-(2-bicyclo[2.2.1]heptanylmethylamino)-4-chlorobenzonitrile
CID 63683527
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylaniline
CID 79554012

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-difluoroaniline?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-difluoroaniline (CID 79554094) is N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-difluoroaniline.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-difluoroaniline?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-difluoroaniline is Fc1ccc(F)c(NCC2CC3CCC2C3)c1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-difluoroaniline?
The InChIKey is PHLDMNBHLZYFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N/c15-12-3-4-13(16)14(7-12)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)-2,5-difluoroaniline?
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-difluoroaniline has a molecular weight of 237.29 g/mol, XLogP of 3.81, 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)-2,5-difluoroaniline is sourced from PubChem (CID 79554094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).