3-amino-N-[2-(2-methylphenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C19H29ClN2O2 — CID 119819932

IUPAC3-amino-N-[2-(2-methylphenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCCC(CNC(=O)C1C2CCC(C2)C1N)Oc1ccccc1C.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-3-15(23-16-7-5-4-6-12(16)2)11-21-19(22)17-13-8-9-14(10-13)18(17)20;/h4-7,13-15,17-18H,3,8-11,20H2,1-2H3,(H,21,22);1H
InChIKeyYYYCFSYFPPXVRG-UHFFFAOYSA-N
MW352.91 g/mol
LogP3.06
Rot. Bonds6

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

3-amino-N-[2-(2-methylphenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119819932) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is 3-amino-N-[2-(2-methylphenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2-methylphenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119819932
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC Name3-amino-N-[2-(2-methylphenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCCC(CNC(=O)C1C2CCC(C2)C1N)Oc1ccccc1C.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-3-15(23-16-7-5-4-6-12(16)2)11-21-19(22)17-13-8-9-14(10-13)18(17)20;/h4-7,13-15,17-18H,3,8-11,20H2,1-2H3,(H,21,22);1H
InChIKeyYYYCFSYFPPXVRG-UHFFFAOYSA-N
XLogP3.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(2-fluorophenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119813326
3-amino-N-[2-(2-methylphenoxy)butyl]cyclopentane-1-carboxamide;hydrochloride
CID 119819930
3-amino-N-[2-(2-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119804798
2-(cyclopropylmethylamino)-N-[2-(2-methylphenoxy)butyl]acetamide
CID 119819945
2-methyl-1-[2-(2-methylphenoxy)butyl]guanidine;hydroiodide
CID 111800301
3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119700360
3-amino-N-[2-(4-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119725350
3-amino-N-[2-(diethylamino)-3-phenylpropyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119849953
3-amino-N-[2-(2-ethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119772874
(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)butyl]butanamide
CID 119819943
3-amino-N-[2-(2-fluorophenoxy)butyl]cyclohexane-1-carboxamide;hydrochloride
CID 119813328
3-amino-N-[2-(3-chlorophenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119807110

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-methylphenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(2-methylphenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119819932) is 3-amino-N-[2-(2-methylphenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2-methylphenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(2-methylphenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is CCC(CNC(=O)C1C2CCC(C2)C1N)Oc1ccccc1C.Cl.
What is the InChIKey of 3-amino-N-[2-(2-methylphenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is YYYCFSYFPPXVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2.ClH/c1-3-15(23-16-7-5-4-6-12(16)2)11-21-19(22)17-13-8-9-14(10-13)18(17)20;/h4-7,13-15,17-18H,3,8-11,20H2,1-2H3,(H,21,22);1H.
What are the key properties of 3-amino-N-[2-(2-methylphenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[2-(2-methylphenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 352.91 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-methylphenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119819932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).