4-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-1-azabicyclo[3.2.1]octan-4-amine

C14H19ClFN3 — CID 107527940

IUPAC4-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESNCC1(Nc2cc(F)ccc2Cl)CCN2CCC1C2
InChIInChI=1S/C14H19ClFN3/c15-12-2-1-11(16)7-13(12)18-14(9-17)4-6-19-5-3-10(14)8-19/h1-2,7,10,18H,3-6,8-9,17H2
InChIKeyJNLBXJPNJMGJBO-UHFFFAOYSA-N
MW283.78 g/mol
LogP2.31
Rot. Bonds3

About 4-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-1-azabicyclo[3.2.1]octan-4-amine

4-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 107527940) has the molecular formula C14H19ClFN3 and a molecular weight of 283.78 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID107527940
Molecular FormulaC14H19ClFN3
Molecular Weight283.78 g/mol
Exact Mass283.13
IUPAC Name4-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESNCC1(Nc2cc(F)ccc2Cl)CCN2CCC1C2
InChIInChI=1S/C14H19ClFN3/c15-12-2-1-11(16)7-13(12)18-14(9-17)4-6-19-5-3-10(14)8-19/h1-2,7,10,18H,3-6,8-9,17H2
InChIKeyJNLBXJPNJMGJBO-UHFFFAOYSA-N
XLogP2.31
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(2-methoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105365215
3-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107527969
3-(aminomethyl)-N-(2-chloro-5-fluorophenyl)thian-3-amine
CID 107527924
3-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine
CID 107527826
3-(aminomethyl)-N-(3-chloro-5-fluorophenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 107364585
4-(aminomethyl)-N-(2-methylprop-2-enyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105365307
4-[(5-fluoro-2-methylphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105373052
4-[(2-bromo-5-fluorophenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105365802
2-chloro-5-fluoro-N-(piperidin-4-ylmethyl)aniline
CID 107527336
2-chloro-N-(2,2-dimethylcyclopentyl)-5-fluoroaniline
CID 107527334
4-[(3-chloro-2-fluorophenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 102857072
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43763532

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-1-azabicyclo[3.2.1]octan-4-amine (CID 107527940) is 4-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-1-azabicyclo[3.2.1]octan-4-amine is NCC1(Nc2cc(F)ccc2Cl)CCN2CCC1C2.
What is the InChIKey of 4-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is JNLBXJPNJMGJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN3/c15-12-2-1-11(16)7-13(12)18-14(9-17)4-6-19-5-3-10(14)8-19/h1-2,7,10,18H,3-6,8-9,17H2.
What are the key properties of 4-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-1-azabicyclo[3.2.1]octan-4-amine?
4-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 283.78 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-chloro-5-fluorophenyl)-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 107527940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).