3-amino-N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C16H23ClN2O — CID 119669695

IUPAC3-amino-N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCC(NC(=O)C1C2CCC(C2)C1N)c1ccccc1.Cl
InChIInChI=1S/C16H22N2O.ClH/c1-10(11-5-3-2-4-6-11)18-16(19)14-12-7-8-13(9-12)15(14)17;/h2-6,10,12-15H,7-9,17H2,1H3,(H,18,19);1H
InChIKeyWNDMXIBQFMKRCL-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.66
Rot. Bonds3

About 3-amino-N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119669695) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 3-amino-N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119669695
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name3-amino-N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCC(NC(=O)C1C2CCC(C2)C1N)c1ccccc1.Cl
InChIInChI=1S/C16H22N2O.ClH/c1-10(11-5-3-2-4-6-11)18-16(19)14-12-7-8-13(9-12)15(14)17;/h2-6,10,12-15H,7-9,17H2,1H3,(H,18,19);1H
InChIKeyWNDMXIBQFMKRCL-UHFFFAOYSA-N
XLogP2.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[1-(4-methylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119705788
3-amino-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119722000
3-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119706887
3-amino-N-[(1S)-1-pyridin-3-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 81404200
3-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119778488
3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119686308
(1S,2S,3R,4R)-3-[[(1R)-1-phenylethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate
CID 11922437
(2S)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-phenylacetic acid
CID 104898576
3-amino-N-[1-(2-bromophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119686134
3-amino-N-[4-(1-phenylethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119743286
3-amino-N-(1-pyridin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119830321
3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119686309

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119669695) is 3-amino-N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is CC(NC(=O)C1C2CCC(C2)C1N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is WNDMXIBQFMKRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O.ClH/c1-10(11-5-3-2-4-6-11)18-16(19)14-12-7-8-13(9-12)15(14)17;/h2-6,10,12-15H,7-9,17H2,1H3,(H,18,19);1H.
What are the key properties of 3-amino-N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 294.83 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119669695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).