3-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C18H27ClN2O — CID 119778488

IUPAC3-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCc1cc(C)cc(C(C)NC(=O)C2C3CCC(C3)C2N)c1.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-10-6-11(2)8-15(7-10)12(3)20-18(21)16-13-4-5-14(9-13)17(16)19;/h6-8,12-14,16-17H,4-5,9,19H2,1-3H3,(H,20,21);1H
InChIKeyGFLLXQNGVMKCKA-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.28
Rot. Bonds3

About 3-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119778488) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is 3-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119778488
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name3-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCc1cc(C)cc(C(C)NC(=O)C2C3CCC(C3)C2N)c1.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-10-6-11(2)8-15(7-10)12(3)20-18(21)16-13-4-5-14(9-13)17(16)19;/h6-8,12-14,16-17H,4-5,9,19H2,1-3H3,(H,20,21);1H
InChIKeyGFLLXQNGVMKCKA-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.28
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-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119669695
9-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989321
3-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119706887
3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119686308
3-amino-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119722000
3-amino-N-[(1S)-1-pyridin-3-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 81404200
3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119686309
3-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119736207
3-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119729792
3-amino-N-[1-(2-bromophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119686134
3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119771212

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119778488) is 3-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is Cc1cc(C)cc(C(C)NC(=O)C2C3CCC(C3)C2N)c1.Cl.
What is the InChIKey of 3-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is GFLLXQNGVMKCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O.ClH/c1-10-6-11(2)8-15(7-10)12(3)20-18(21)16-13-4-5-14(9-13)17(16)19;/h6-8,12-14,16-17H,4-5,9,19H2,1-3H3,(H,20,21);1H.
What are the key properties of 3-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 3.28, 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-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119778488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).