N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide

C17H22F3N3O — CID 125120352

IUPACN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide
SMILESNCc1cc(NC(=O)CC2C[C@H]3CC[C@@H](C2)N3)cc(C(F)(F)F)c1
InChIInChI=1S/C17H22F3N3O/c18-17(19,20)12-3-11(9-21)6-15(8-12)23-16(24)7-10-4-13-1-2-14(5-10)22-13/h3,6,8,10,13-14,22H,1-2,4-5,7,9,21H2,(H,23,24)/t10?,13-,14+
InChIKeyAXAUDMBTQBHGKM-FTNCPSPGSA-N
MW341.38 g/mol
LogP3.02
Rot. Bonds4

About N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide (PubChem CID 125120352) has the molecular formula C17H22F3N3O and a molecular weight of 341.38 g/mol. Its IUPAC name is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide
PubChem CID125120352
Molecular FormulaC17H22F3N3O
Molecular Weight341.38 g/mol
Exact Mass341.17
IUPAC NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide
SMILESNCc1cc(NC(=O)CC2C[C@H]3CC[C@@H](C2)N3)cc(C(F)(F)F)c1
InChIInChI=1S/C17H22F3N3O/c18-17(19,20)12-3-11(9-21)6-15(8-12)23-16(24)7-10-4-13-1-2-14(5-10)22-13/h3,6,8,10,13-14,22H,1-2,4-5,7,9,21H2,(H,23,24)/t10?,13-,14+
InChIKeyAXAUDMBTQBHGKM-FTNCPSPGSA-N
XLogP3.02
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide with MolForge

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Related Compounds

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 120605553
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 119697637
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,4,5-trifluorophenyl)acetamide;hydrochloride
CID 119708006
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide
CID 120605415
N-[2-[3-(aminomethyl)-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride
CID 120604730
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 120605581
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 120604991
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 120605696
2-[acetyl(methyl)amino]-N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]acetamide
CID 120605357
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide;hydrochloride
CID 120605580
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide
CID 120604551
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]pent-4-enamide
CID 120604945

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide (CID 125120352) is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide.
What is the SMILES notation for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The canonical SMILES for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide is NCc1cc(NC(=O)CC2C[C@H]3CC[C@@H](C2)N3)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The InChIKey is AXAUDMBTQBHGKM-FTNCPSPGSA-N. The full InChI is InChI=1S/C17H22F3N3O/c18-17(19,20)12-3-11(9-21)6-15(8-12)23-16(24)7-10-4-13-1-2-14(5-10)22-13/h3,6,8,10,13-14,22H,1-2,4-5,7,9,21H2,(H,23,24)/t10?,13-,14+.
What are the key properties of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide has a molecular weight of 341.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide is sourced from PubChem (CID 125120352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).